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

Systemtic Name: 2-[[3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-5H-1,2-oxazol-2-yl]carbonyl-pyrrolidin-2-ylcarbonyl-amino]ethanoic acid Openeye Name: 2-[[3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-5H-isoxazole-2-carbonyl]-(pyrrolidine-2-carbonyl)amino]acetic acid CAS Name: 2-[[[3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-5H-isoxazol-2-yl]-oxomethyl]-[oxo(2-pyrrolidinyl)methyl]amino]acetic acid IUPAC Name: 2-[[3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoyl-5H-1,2-oxazole-2-carbonyl]-(pyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[(4-amidino-3,5-diphenylalanyl-3-isoxazoline-2-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)N2C(=C(C(O2)C(=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)N2C(=C(C(O2)C(=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(28(33)34)27(26(41)20(32)15-18-10-5-2-6-11-18)44-37(24)30(43)36(16-22(38)39)29(42)21-12-7-13-35-21/h1-6,8-11,19-21,27,35H,7,12-16,31-32H2,(H3,33,34)(H,38,39)