(2S)-2-[[3-[4-methoxycarbonyl-4-[phenyl(propanoyl)amino]piperidin-1-yl]-2-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[3-[4-methoxycarbonyl-4-[phenyl(propanoyl)amino]piperidin-1-yl]-2-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[3-[4-methoxycarbonyl-4-(N-propanoylanilino)-1-piperidyl]-2-phenyl-propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[3-[4-methoxycarbonyl-4-[N-(1-oxopropyl)anilino]-1-piperidinyl]-1-oxo-2-phenylpropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[3-[4-methoxycarbonyl-4-(N-propanoylanilino)piperidin-1-yl]-2-phenylpropanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[3-[4-carbomethoxy-4-(N-propionylanilino)piperidino]-2-phenyl-propanoyl]amino]glutaric acid Formula: C30H37N3O8 MolecularWeight: 567.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC(C3=CC=CC=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC(C3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)OC

InChI

InChI=1S/C30H37N3O8/c1-3-25(34)33(22-12-8-5-9-13-22)30(29(40)41-2)16-18-32(19-17-30)20-23(21-10-6-4-7-11-21)27(37)31-24(28(38)39)14-15-26(35)36/h4-13,23-24H,3,14-20H2,1-2H3,(H,31,37)(H,35,36)(H,38,39)/t23?,24-/m0/s1