(2R)-1-[(2S)-2-[[(2R)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Pentanoyl]Amino]-3-Phenylpropanoyl]-N-(2-Oxoethylidene)Pyrrolidine-2-Carboxamide
[CAS# 136037-37-1]

Identification

• Name: (2R)-1-[(2S)-2-[[(2R)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Pentanoyl]Amino]-3-Phenylpropanoyl]-N-(2-Oxoethylidene)Pyrrolidine-2-Carboxamide
• Synonyms: (2R)-1-[(2S)-2-[[(2R)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]-N-(2-Oxoethylidene)Pyrrolidine-2-Carboxamide; (2R)-1-[(2S)-2-[[(2R)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]-N-(2-Oxoethylidene)-2-Pyrrolidinecarboxamide; (2R)-1-[(2S)-2-[[(2R)-5-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]-N-(2-Ketoethylidene)Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₀H₃₈N₆O₆
• Molecular Weight: 578.67
• CAS Registry Number: 136037-37-1
• SMILES: [C@H]3(N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CCCN)CC2=CC=CC=C2)CCC3)C(=O)N=CC=O
• InChI: 1S/C30H38N6O6/c31-14-4-8-24(34-27(39)23(32)18-21-10-12-22(38)13-11-21)28(40)35-25(19-20-6-2-1-3-7-20)30(42)36-16-5-9-26(36)29(41)33-15-17-37/h1-3,6-7,10-13,15,17,23-26,38H,4-5,8-9,14,16,18-19,31-32H2,(H,34,39)(H,35,40)/t23-,24+,25-,26+/m0/s1
• InChIKey: FELWTKZAAIPOTH-ROXDYWFKSA-N

Properties

• Density: 1.342g/cm³ (Cal.)