3-[[4-azanyl-2-[(4-methylpiperidin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[[4-azanyl-2-[(4-methylpiperidin-2-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 3-[[4-amino-2-[(4-methyl-2-piperidyl)amino]-4-oxo-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 3-[[4-amino-2-[(4-methyl-2-piperidinyl)amino]-1,4-dioxobutyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[[4-amino-2-[(4-methylpiperidin-2-yl)amino]-4-oxobutanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-[[4-amino-4-keto-2-[(4-methyl-2-piperidyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)proline Formula: C25H37N5O6 MolecularWeight: 503.59118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)NC(CC(=O)N)C(=O)NC2CCN(C2(C(=O)O)O)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1CCNC(C1)NC(CC(=O)N)C(=O)NC2CCN(C2(C(=O)O)O)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H37N5O6/c1-16-10-12-27-21(14-16)28-18(15-20(26)31)23(33)29-19-11-13-30(25(19,36)24(34)35)22(32)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,16,18-19,21,27-28,36H,5,8-15H2,1H3,(H2,26,31)(H,29,33)(H,34,35)