3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(benzyloxycarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylmethoxycarbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(benzyloxycarbonylamino)-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H31N5O7 MolecularWeight: 561.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O7/c1-40-29(39)34-14-12-33(13-15-34)25-10-9-21(16-24(25)32-28(38)41-19-20-6-3-2-4-7-20)27(37)31-23(17-26(35)36)22-8-5-11-30-18-22/h2-11,16,18,23H,12-15,17,19H2,1H3,(H,31,37)(H,32,38)(H,35,36)