(phenylmethyl) N-[(2S)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-6-(propanoylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-6-(propanoylamino)hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]-5-(propanoylamino)pentyl]carbamate CAS Name: N-[(2S)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxo-6-(1-oxopropylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-(propanoylamino)hexan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2-keto-4-methyl-chromen-7-yl)carbamoyl]-5-propionamido-pentyl]carbamic acid benzyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6/c1-3-24(31)28-14-8-7-11-22(30-27(34)35-17-19-9-5-4-6-10-19)26(33)29-20-12-13-21-18(2)15-25(32)36-23(21)16-20/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1