2-[(1-azanylcyclopentyl)carbonyl-[(4-bromanyl-4-oxidanyl-butanoyl)-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-azanylcyclopentyl)carbonyl-[(4-bromanyl-4-oxidanyl-butanoyl)-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(1-aminocyclopentanecarbonyl)-[(1-benzyl-2-methoxy-2-oxo-ethyl)-(4-bromo-4-hydroxy-butanoyl)amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1-aminocyclopentyl)-oxomethyl]-[(4-bromo-4-hydroxy-1-oxobutyl)-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-aminocyclopentanecarbonyl)-[(4-bromo-4-hydroxybutanoyl)-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-3-phenylpropanoic acid Traditional Name: 2-[(1-aminocyclopentanecarbonyl)-[(1-benzyl-2-keto-2-methoxy-ethyl)-(4-bromo-4-hydroxy-butanoyl)amino]amino]-3-phenyl-propionic acid Formula: C29H36BrN3O7 MolecularWeight: 618.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C(=O)CCC(O)Br)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C(=O)CCC(O)Br)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3(CCCC3)N

InChI

InChI=1S/C29H36BrN3O7/c1-40-27(38)23(19-21-12-6-3-7-13-21)32(25(35)15-14-24(30)34)33(28(39)29(31)16-8-9-17-29)22(26(36)37)18-20-10-4-2-5-11-20/h2-7,10-13,22-24,34H,8-9,14-19,31H2,1H3,(H,36,37)