2-[(1-azanylcyclopentyl)carbonyl-[6-bromanylhexanoyl-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-azanylcyclopentyl)carbonyl-[6-bromanylhexanoyl-(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)-(6-bromohexanoyl)amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1-aminocyclopentyl)-oxomethyl]-[(6-bromo-1-oxohexyl)-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(1-aminocyclopentanecarbonyl)-[6-bromohexanoyl-(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)-(6-bromohexanoyl)amino]amino]-3-phenyl-propionic acid Formula: C31H40BrN3O6 MolecularWeight: 630.5698

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H40BrN3O6/c1-41-29(39)26(22-24-15-7-3-8-16-24)34(27(36)17-9-4-12-20-32)35(30(40)31(33)18-10-11-19-31)25(28(37)38)21-23-13-5-2-6-14-23/h2-3,5-8,13-16,25-26H,4,9-12,17-22,33H2,1H3,(H,37,38)