4-azanyl-5-[1-[[3-methyl-4-(phenylcarbamoyl)phenyl]carbamoyl]piperidin-2-yl]-5-oxidanylidene-2-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 4-azanyl-5-[1-[[3-methyl-4-(phenylcarbamoyl)phenyl]carbamoyl]piperidin-2-yl]-5-oxidanylidene-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 4-amino-5-[1-[[3-methyl-4-(phenylcarbamoyl)phenyl]carbamoyl]-2-piperidyl]-5-oxo-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 4-amino-5-[1-[[4-[anilino(oxo)methyl]-3-methylanilino]-oxomethyl]-2-piperidinyl]-5-oxo-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 4-amino-5-[1-[[3-methyl-4-(phenylcarbamoyl)phenyl]carbamoyl]piperidin-2-yl]-5-oxo-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 4-amino-5-keto-5-[1-[[3-methyl-4-(phenylcarbamoyl)phenyl]carbamoyl]-2-piperidyl]-2-pyrrolidino-valeric acid Formula: C29H37N5O5 MolecularWeight: 535.63458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCCCC2C(=O)C(CC(C(=O)O)N3CCCC3)N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCCCC2C(=O)C(CC(C(=O)O)N3CCCC3)N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H37N5O5/c1-19-17-21(12-13-22(19)27(36)31-20-9-3-2-4-10-20)32-29(39)34-16-6-5-11-24(34)26(35)23(30)18-25(28(37)38)33-14-7-8-15-33/h2-4,9-10,12-13,17,23-25H,5-8,11,14-16,18,30H2,1H3,(H,31,36)(H,32,39)(H,37,38)