(3S)-3-[[(2S)-1-[(E,2S)-2-Amino-5-(Diaminomethylideneamino)Pent-3-Enoyl]Pyrrolidine-2-Carbonyl]Amino]-4-[[(2R)-1-[[(2S)-1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 135680-82-9]

Identification

• Name: (3S)-3-[[(2S)-1-[(E,2S)-2-Amino-5-(Diaminomethylideneamino)Pent-3-Enoyl]Pyrrolidine-2-Carbonyl]Amino]-4-[[(2R)-1-[[(2S)-1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-[[(2S)-1-[(E,2S)-2-Amino-5-Guanidino-Pent-3-Enoyl]Pyrrolidine-2-Carbonyl]Amino]-4-[[(1R)-1-[[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[[(2S)-1-[(E,2S)-2-Amino-5-Guanidino-1-Oxopent-3-Enyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-[[(1R)-1-[[[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-1-[(E,2S)-2-Amino-5-Guanidino-Pent-3-Enoyl]Pyrrolidine-2-Carbonyl]Amino]-4-[[(1R)-1-[[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₉H₄₂N₈O₈
• Molecular Weight: 630.70
• CAS Registry Number: 135680-82-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N)\C=C\CN=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C=O)CC(O)=O
• InChI: 1S/C29H42N8O8/c1-16(2)24(27(44)34-18(15-38)13-17-7-9-19(39)10-8-17)36-25(42)21(14-23(40)41)35-26(43)22-6-4-12-37(22)28(45)20(30)5-3-11-33-29(31)32/h3,5,7-10,15-16,18,20-22,24,39H,4,6,11-14,30H2,1-2H3,(H,34,44)(H,35,43)(H,36,42)(H,40,41)(H4,31,32,33)/b5-3+/t18-,20-,21-,22-,24+/m0/s1
• InChIKey: LEQARIATTLCLEW-UUXWMSROSA-N

Properties

• Density: 1.441g/cm³ (Cal.)