3-[[3-azanyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-azanyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-amino-4-[4-(2-phenylacetyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O4/c28-22-16-20(27(36)30-23(17-26(34)35)21-7-4-10-29-18-21)8-9-24(22)31-11-13-32(14-12-31)25(33)15-19-5-2-1-3-6-19/h1-10,16,18,23H,11-15,17,28H2,(H,30,36)(H,34,35)