(2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-3-Hydroxy-1-Oxopropan-2-Yl]Butanediamide
[CAS# 151937-05-2]

Identification

• Name: (2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-3-Hydroxy-1-Oxopropan-2-Yl]Butanediamide
• Synonyms: (2S)-2-Amino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Butanediamide; (2S)-2-Amino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Butanediamide; (2S)-2-Amino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Succinamide
• Molecular Formula: C₃₁H₄₄N₁₀O₈
• Molecular Weight: 684.75
• CAS Registry Number: 151937-05-2
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CO)CC1=CC=CC=C1)(CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N
• InChI: 1S/C31H44N10O8/c32-20(15-25(33)44)27(46)41-24(16-42)30(49)40-23(14-17-5-2-1-3-6-17)29(48)38-21(7-4-12-37-31(35)36)28(47)39-22(26(34)45)13-18-8-10-19(43)11-9-18/h1-3,5-6,8-11,20-24,42-43H,4,7,12-16,32H2,(H2,33,44)(H2,34,45)(H,38,48)(H,39,47)(H,40,49)(H,41,46)(H4,35,36,37)/t20-,21-,22-,23-,24-/m0/s1
• InChIKey: GCLINQNIKJHLQE-LSBAASHUSA-N

Properties

• Density: 1.492g/cm³ (Cal.)