2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(3S)-3-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

4.2 InChI

InChI=1S/C221H342N54O61/c1-111(2)86-146(189(304)235-103-168(287)234-104-169(288)240-124(25)186(301)267-164(110-277)212(327)274-182(125(26)278)218(333)249-145(77-79-166(229)285)198(313)270-180(120(19)20)217(332)275-183(126(27)279)219(334)266-162(220(335)336)98-129-52-35-30-36-53-129)254-207(322)160(101-175(295)296)263-200(315)149(89-114(7)8)251-185(300)123(24)242-171(290)106-237-192(307)153(94-130-60-68-134(280)69-61-130)257-202(317)151(91-116(11)12)255-208(323)161(102-176(297)298)264-211(326)163(109-276)268-214(329)178(118(15)16)272-216(331)181(121(21)22)273-215(330)179(119(17)18)269-197(312)143(59-41-46-84-226)245-195(310)141(57-39-44-82-224)246-205(320)157(97-133-66-74-137(283)75-67-133)265-213(328)177(117(13)14)271-210(325)158(99-167(230)286)261-206(321)156(96-132-64-72-136(282)73-65-132)260-209(324)159(100-174(293)294)262-194(309)140(56-38-43-81-223)244-173(292)108-239-191(306)152(92-127-48-31-28-32-49-127)256-193(308)139(55-37-42-80-222)243-172(291)107-238-190(305)147(87-112(3)4)253-199(314)148(88-113(5)6)250-184(299)122(23)241-170(289)105-236-188(303)144(76-78-165(228)284)248-204(319)154(93-128-50-33-29-34-51-128)258-196(311)142(58-40-45-83-225)247-203(318)155(95-131-62-70-135(281)71-63-131)259-201(316)150(90-115(9)10)252-187(302)138(227)54-47-85-233-221(231)232/h28-36,48-53,60-75,111-126,138-164,177-183,276-283H,37-47,54-59,76-110,222-227H2,1-27H3,(H2,228,284)(H2,229,285)(H2,230,286)(H,234,287)(H,235,304)(H,236,303)(H,237,307)(H,238,305)(H,239,306)(H,240,288)(H,241,289)(H,242,290)(H,243,291)(H,244,292)(H,245,310)(H,246,320)(H,247,318)(H,248,319)(H,249,333)(H,250,299)(H,251,300)(H,252,302)(H,253,314)(H,254,322)(H,255,323)(H,256,308)(H,257,317)(H,258,311)(H,259,316)(H,260,324)(H,261,321)(H,262,309)(H,263,315)(H,264,326)(H,265,328)(H,266,334)(H,267,301)(H,268,329)(H,269,312)(H,270,313)(H,271,325)(H,272,331)(H,273,330)(H,274,327)(H,275,332)(H,293,294)(H,295,296)(H,297,298)(H,335,336)(H4,231,232,233)/t122-,123-,124-,125+,126+,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,177-,178-,179-,180-,181-,182-,183-/m0/s1

4.3 InChIKey

VQPIHIGAMRSAAN-WMUFLLRFSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC5=CC=CC=C5)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CCCCN)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)N

4.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N)O

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)