2-[[3,5-bis(2-azanyl-3-phenyl-propanoyl)-2-carbamimidoyl-5H-1,2-oxazol-4-yl]carbonyl-pyrrolidin-2-ylcarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(2-azanyl-3-phenyl-propanoyl)-2-carbamimidoyl-5H-1,2-oxazol-4-yl]carbonyl-pyrrolidin-2-ylcarbonyl-amino]ethanoic acid Openeye Name: 2-[[3,5-bis(2-amino-3-phenyl-propanoyl)-2-carbamimidoyl-5H-isoxazole-4-carbonyl]-(pyrrolidine-2-carbonyl)amino]acetic acid CAS Name: 2-[[[3,5-bis(2-amino-1-oxo-3-phenylpropyl)-2-carbamimidoyl-5H-isoxazol-4-yl]-oxomethyl]-[oxo(2-pyrrolidinyl)methyl]amino]acetic acid IUPAC Name: 2-[[3,5-bis(2-amino-3-phenylpropanoyl)-2-carbamimidoyl-5H-1,2-oxazole-4-carbonyl]-(pyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[(2-amidino-3,5-diphenylalanyl-3-isoxazoline-4-carbonyl)-prolyl-amino]acetic acid Formula: C30H35N7O7 MolecularWeight: 605.6416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(CC(=O)O)C(=O)C2=C(N(OC2C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1CC(NC1)C(=O)N(CC(=O)O)C(=O)C2=C(N(OC2C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C30H35N7O7/c31-19(14-17-8-3-1-4-9-17)25(40)24-23(29(43)36(16-22(38)39)28(42)21-12-7-13-35-21)27(44-37(24)30(33)34)26(41)20(32)15-18-10-5-2-6-11-18/h1-6,8-11,19-21,27,35H,7,12-16,31-32H2,(H3,33,34)(H,38,39)