Phenylmethyl N-[(2S)-1-[[(2S)-6-Amino-1-[[(2S)-5-(Diaminomethylideneamino)-2-[(4-Nitrophenyl)Amino]Pentanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamate
[CAS# 108318-36-1]

Identification

• Name: Phenylmethyl N-[(2S)-1-[[(2S)-6-Amino-1-[[(2S)-5-(Diaminomethylideneamino)-2-[(4-Nitrophenyl)Amino]Pentanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-2-[[(1S)-5-Amino-1-[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]Pentanoyl]Carbamoyl]Pentyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamate; N-[(1S)-2-[[(1S)-5-Amino-1-[[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]-1-Oxopentyl]Amino]-Oxomethyl]Pentyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-2-[[(1S)-5-Amino-1-[[(2S)-5-Guanidino-2-[(4-Nitrophenyl)Amino]Pentanoyl]Carbamoyl]Pentyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₅H₄₅N₉O₈
• Molecular Weight: 719.80
• CAS Registry Number: 108318-36-1
• SMILES: [C@H](NC(=O)[C@@H](NC(OCC1=CC=CC=C1)=O)CC2=CC=C(O)C=C2)(CCCCN)C(=O)NC(=O)[C@@H](NC3=CC=C([N+]([O-])=O)C=C3)CCCN=C(N)N
• InChI: 1S/C35H45N9O8/c36-19-5-4-9-29(32(47)43-31(46)28(10-6-20-39-34(37)38)40-25-13-15-26(16-14-25)44(50)51)41-33(48)30(21-23-11-17-27(45)18-12-23)42-35(49)52-22-24-7-2-1-3-8-24/h1-3,7-8,11-18,28-30,40,45H,4-6,9-10,19-22,36H2,(H,41,48)(H,42,49)(H4,37,38,39)(H,43,46,47)/t28-,29-,30-/m0/s1
• InChIKey: YYKAYBHOSUTKDL-DTXPUJKBSA-N

Properties

• Density: 1.382g/cm³ (Cal.)