(2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-2-(Heptylamino)Pentanoyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pyrrolidine-2-Carboxamide
[CAS# 79358-73-9]

Identification

• Name: (2R)-N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-2-(Heptylamino)Pentanoyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pyrrolidine-2-Carboxamide
• Synonyms: (2R)-N-[(1S)-2-[[(2S)-5-Guanidino-2-(Heptylamino)Pentanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Pyrrolidine-2-Carboxamide; (2R)-N-[(1S)-2-[[(2S)-5-Guanidino-2-(Heptylamino)-1-Oxopentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-Pyrrolidinecarboxamide; (2R)-N-[(1S)-1-(Benzyl)-2-[[(2S)-5-Guanidino-2-(Heptylamino)Pentanoyl]Amino]-2-Keto-Ethyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₇H₄₅N₇O₃
• Molecular Weight: 515.70
• CAS Registry Number: 79358-73-9
• SMILES: [C@H]1(NCCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC(=O)[C@@H](NCCCCCCC)CCCN=C(N)N
• InChI: 1S/C27H45N7O3/c1-2-3-4-5-9-16-30-22(15-11-18-32-27(28)29)25(36)34-26(37)23(19-20-12-7-6-8-13-20)33-24(35)21-14-10-17-31-21/h6-8,12-13,21-23,30-31H,2-5,9-11,14-19H2,1H3,(H,33,35)(H4,28,29,32)(H,34,36,37)/t21-,22+,23+/m1/s1
• InChIKey: VZEZHRBPRXCAAY-VJBWXMMDSA-N

Properties

• Density: 1.235g/cm³ (Cal.)