5-[[3-methyl-1-[[1-oxidanyl-1,4-bis(oxidanylidene)-5-(phenethylsulfonylamino)pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[[3-methyl-1-[[1-oxidanyl-1,4-bis(oxidanylidene)-5-(phenethylsulfonylamino)pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-[[1-[[1-carboxy-3-oxo-4-(phenethylsulfonylamino)butyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-hydroxy-1,4-dioxo-5-(phenethylsulfonylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[[1-[[1-hydroxy-1,4-dioxo-5-(phenethylsulfonylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-5-[[1-[[1-carboxy-3-keto-4-(phenethylsulfonylamino)butyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C31H40N4O11S MolecularWeight: 676.7345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)CNS(=O)(=O)CCC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)CNS(=O)(=O)CCC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H40N4O11S/c1-20(2)27(35-28(39)24(13-14-26(37)38)34-31(43)46-19-22-11-7-4-8-12-22)29(40)33-25(30(41)42)17-23(36)18-32-47(44,45)16-15-21-9-5-3-6-10-21/h3-12,20,24-25,27,32H,13-19H2,1-2H3,(H,33,40)(H,34,43)(H,35,39)(H,37,38)(H,41,42)