(2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
[CAS# 148297-92-1]

Identification

• Name: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
• Synonyms: (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]-5-Oxo-Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-1-[[[2-[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]-5-Oxo-2-Pyrrolidinecarboxamide; (2S)-N-[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₈H₄₃N₉O₆
• Molecular Weight: 601.70
• CAS Registry Number: 148297-92-1
• SMILES: [C@@H]1(NC(=O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N
• InChI: 1S/C28H43N9O6/c1-16(2)13-21(37-27(43)19-10-11-22(38)34-19)25(41)33-15-23(39)35-18(9-6-12-32-28(30)31)26(42)36-20(24(29)40)14-17-7-4-3-5-8-17/h3-5,7-8,16,18-21H,6,9-15H2,1-2H3,(H2,29,40)(H,33,41)(H,34,38)(H,35,39)(H,36,42)(H,37,43)(H4,30,31,32)/t18-,19-,20-,21-/m0/s1
• InChIKey: JOJUNHUHLMUZOG-TUFLPTIASA-N

Properties

• Density: 1.413g/cm³ (Cal.)