2-[[5-(cyclopentylcarbonylamino)-1-(diphenylmethyl)indol-3-yl]methylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[5-(cyclopentylcarbonylamino)-1-(diphenylmethyl)indol-3-yl]methylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[5-[[cyclopentyl(oxo)methyl]amino]-1-(diphenylmethyl)-3-indolyl]methylamino]-3-hydroxypropanoic acid IUPAC Name: 2-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]-3-hydroxypropanoic acid Traditional Name: 2-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]-3-hydroxy-propionic acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C=C3CNC(CO)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C=C3CNC(CO)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O4/c35-20-27(31(37)38)32-18-24-19-34(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)28-16-15-25(17-26(24)28)33-30(36)23-13-7-8-14-23/h1-6,9-12,15-17,19,23,27,29,32,35H,7-8,13-14,18,20H2,(H,33,36)(H,37,38)