(phenylmethyl) 5-[[2-(3-azanyl-3-oxidanylidene-propyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[[2-(3-azanyl-3-oxidanylidene-propyl)phenyl]carbonylamino]-6-oxidanylidene-6-(4-oxidanylidenebutanoylamino)hexanoate Openeye Name: benzyl 5-[[2-(3-amino-3-oxo-propyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoate CAS Name: 5-[[[2-(3-amino-3-oxopropyl)phenyl]-oxomethyl]amino]-6-(1,4-dioxobutylamino)-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[2-(3-amino-3-oxopropyl)benzoyl]amino]-6-oxo-6-(4-oxobutanoylamino)hexanoate Traditional Name: 5-[[2-(3-amino-3-keto-propyl)benzoyl]amino]-6-keto-6-(4-ketobutanoylamino)hexanoic acid benzyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCC=O)NC(=O)C2=CC=CC=C2CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCC=O)NC(=O)C2=CC=CC=C2CCC(=O)N

InChI

InChI=1S/C27H31N3O7/c28-23(32)16-15-20-10-4-5-11-21(20)26(35)29-22(27(36)30-24(33)13-7-17-31)12-6-14-25(34)37-18-19-8-2-1-3-9-19/h1-5,8-11,17,22H,6-7,12-16,18H2,(H2,28,32)(H,29,35)(H,30,33,36)