2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid

4.2 InChI

InChI=1S/C120H169N31O49S.C2HF3O2/c1-4-56(2)98(119(198)150-84(49-96(174)175)117(196)139-72(37-59-21-27-64(154)28-22-59)106(185)134-68(15-7-11-32-123)103(182)145-81(46-93(168)169)114(193)147-83(48-95(172)173)116(195)148-82(47-94(170)171)115(194)146-78(43-90(162)163)110(189)135-69(120(199)200)16-8-12-33-124)151-118(197)85(50-97(176)177)149-108(187)74(39-61-52-127-55-130-61)141-113(192)80(45-92(166)167)144-101(180)66(13-5-9-30-121)132-104(183)70(35-57-17-23-62(152)24-18-57)137-109(188)76(41-88(158)159)131-86(155)53-128-100(179)75(40-87(156)157)142-107(186)73(38-60-51-126-54-129-60)140-112(191)79(44-91(164)165)143-102(181)67(14-6-10-31-122)133-105(184)71(36-58-19-25-63(153)26-20-58)138-111(190)77(42-89(160)161)136-99(178)65(125)29-34-201-3;3-2(4,5)1(6)7/h17-28,51-52,54-56,65-85,98,152-154H,4-16,29-50,53,121-125H2,1-3H3,(H,126,129)(H,127,130)(H,128,179)(H,131,155)(H,132,183)(H,133,184)(H,134,185)(H,135,189)(H,136,178)(H,137,188)(H,138,190)(H,139,196)(H,140,191)(H,141,192)(H,142,186)(H,143,181)(H,144,180)(H,145,182)(H,146,194)(H,147,193)(H,148,195)(H,149,187)(H,150,198)(H,151,197)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,199,200);(H,6,7)/t56-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,98-;/m0./s1

4.3 InChIKey

GTFCLKXQJOUAAB-XMLADREXSA-N

4.4 Canonical SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N.C(=O)(C(F)(F)F)O

4.5 Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N.C(=O)(C(F)(F)F)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)