1-[[3-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[3-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-2-hydroxy-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[3-[[6-amino-2-[[cyclobutyl(oxo)methyl]amino]-1-oxohexyl]amino]-2-hydroxy-4-phenylbutyl]-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-2-hydroxy-4-phenylbutyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[3-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-2-hydroxy-4-phenyl-butyl]-methyl-carbamoyl]proline Formula: C28H43N5O6 MolecularWeight: 545.67092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N5O6/c1-32(28(39)33-16-8-14-23(33)27(37)38)18-24(34)22(17-19-9-3-2-4-10-19)31-26(36)21(13-5-6-15-29)30-25(35)20-11-7-12-20/h2-4,9-10,20-24,34H,5-8,11-18,29H2,1H3,(H,30,35)(H,31,36)(H,37,38)