1-[5-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-2-methyl-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-2-methyl-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-2-methyl-4-oxo-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-[[6-amino-2-[[cyclobutyl(oxo)methyl]amino]-1-oxohexyl]amino]-2-methyl-1,4-dioxo-6-phenylhexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-2-methyl-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-4-keto-2-methyl-6-phenyl-hexanoyl]proline Formula: C29H42N4O6 MolecularWeight: 542.66698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C2CCC2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(CC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C2CCC2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C29H42N4O6/c1-19(28(37)33-16-8-14-24(33)29(38)39)17-25(34)23(18-20-9-3-2-4-10-20)32-27(36)22(13-5-6-15-30)31-26(35)21-11-7-12-21/h2-4,9-10,19,21-24H,5-8,11-18,30H2,1H3,(H,31,35)(H,32,36)(H,38,39)