2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

4.2 InChI

InChI=1S/C65H118N22O20/c1-31(2)28-43(83-51(94)34(7)76-54(97)38(17-11-13-25-67)78-53(96)37(68)16-10-12-24-66)60(103)80-40(19-15-27-75-65(72)73)55(98)79-39(18-14-26-74-64(70)71)56(99)81-41(20-22-46(69)89)57(100)82-42(21-23-47(90)91)58(101)87-50(36(9)88)62(105)86-49(33(5)6)61(104)84-44(30-48(92)93)59(102)77-35(8)52(95)85-45(63(106)107)29-32(3)4/h31-45,49-50,88H,10-30,66-68H2,1-9H3,(H2,69,89)(H,76,97)(H,77,102)(H,78,96)(H,79,98)(H,80,103)(H,81,99)(H,82,100)(H,83,94)(H,84,104)(H,85,95)(H,86,105)(H,87,101)(H,90,91)(H,92,93)(H,106,107)(H4,70,71,74)(H4,72,73,75)/t34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1

4.3 InChIKey

WRSMVHZKPDCKNQ-DBSTUJSUSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N

4.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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)