Phenylmethyl N-[(2S)-2-Amino-5-(Carbamoylamino)Pentanoyl]-N-[(2S)-5-(Diaminomethylideneamino)-1-[(4-Methyl-2-Oxochromen-7-Yl)Amino]-1-Oxopentan-2-Yl]Carbamate
[CAS# 134665-86-4]

Identification

• Name: Phenylmethyl N-[(2S)-2-Amino-5-(Carbamoylamino)Pentanoyl]-N-[(2S)-5-(Diaminomethylideneamino)-1-[(4-Methyl-2-Oxochromen-7-Yl)Amino]-1-Oxopentan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(2S)-2-Amino-5-Ureido-Pentanoyl]-N-[(1S)-4-Guanidino-1-[(4-Methyl-2-Oxo-Chromen-7-Yl)Carbamoyl]Butyl]Carbamate; N-[(2S)-2-Amino-1-Oxo-5-Ureidopentyl]-N-[(1S)-4-Guanidino-1-[[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-Oxomethyl]Butyl]Carbamic Acid Phenylmethyl Ester; N-[(2S)-2-Amino-5-Ureido-Pentanoyl]-N-[(1S)-4-Guanidino-1-[(2-Keto-4-Methyl-Chromen-7-Yl)Carbamoyl]Butyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₀H₃₈N₈O₇
• Molecular Weight: 622.68
• CAS Registry Number: 134665-86-4
• SMILES: [C@H](N(C(=O)[C@@H](N)CCCNC(=O)N)C(OCC1=CC=CC=C1)=O)(CCCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C(=CC(O3)=O)C
• InChI: 1S/C30H38N8O7/c1-18-15-25(39)45-24-16-20(11-12-21(18)24)37-26(40)23(10-6-13-35-28(32)33)38(27(41)22(31)9-5-14-36-29(34)42)30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17,31H2,1H3,(H,37,40)(H4,32,33,35)(H3,34,36,42)/t22-,23-/m0/s1
• InChIKey: ZATVQDQKRKDQOX-GOTSBHOMSA-N

Properties

• Density: 1.417g/cm³ (Cal.)