Phenylmethyl N-[(2R)-1-[[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-2-(Naphthalen-2-Ylamino)Pentanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxopropan-2-Yl]Carbamate
[CAS# 75873-86-8]

Identification

• Name: Phenylmethyl N-[(2R)-1-[[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-2-(Naphthalen-2-Ylamino)Pentanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxopropan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1R)-2-[[(1S)-1-[[(2S)-5-Guanidino-2-(2-Naphthylamino)Pentanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamate; N-[(1R)-2-[[(1S)-1-[[[(2S)-5-Guanidino-2-(2-Naphthylamino)-1-Oxopentyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-Methyl-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1R)-2-[[(1S)-1-[[(2S)-5-Guanidino-2-(2-Naphthylamino)Pentanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₃H₄₃N₇O₅
• Molecular Weight: 617.75
• CAS Registry Number: 75873-86-8
• SMILES: [C@H](NC(=O)[C@H](NC(OCC1=CC=CC=C1)=O)C)(CC(C)C)C(=O)NC(=O)[C@@H](NC3=CC2=CC=CC=C2C=C3)CCCN=C(N)N
• InChI: 1S/C33H43N7O5/c1-21(2)18-28(39-29(41)22(3)37-33(44)45-20-23-10-5-4-6-11-23)31(43)40-30(42)27(14-9-17-36-32(34)35)38-26-16-15-24-12-7-8-13-25(24)19-26/h4-8,10-13,15-16,19,21-22,27-28,38H,9,14,17-18,20H2,1-3H3,(H,37,44)(H,39,41)(H4,34,35,36)(H,40,42,43)/t22-,27+,28+/m1/s1
• InChIKey: JZAVZVUAKPNIAF-WWEDSPNTSA-N

Properties

• Density: 1.268g/cm³ (Cal.)