1-azanyl-4-butanoyl-4-(2-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

Systemtic Name: 1-azanyl-4-butanoyl-4-(2-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Openeye Name: 1-amino-3-(benzyloxycarbonylamino)-4-butanoyl-2-hydroxy-4-(2-methylsulfonylphenyl)cyclopentanecarboxylic acid CAS Name: 1-amino-2-hydroxy-4-(2-methylsulfonylphenyl)-4-(1-oxobutyl)-3-(phenylmethoxycarbonylamino)-1-cyclopentanecarboxylic acid IUPAC Name: 1-amino-4-butanoyl-2-hydroxy-4-(2-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Traditional Name: 1-amino-3-(benzyloxycarbonylamino)-4-butyryl-2-hydroxy-4-(2-mesylphenyl)cyclopentanecarboxylic acid Formula: C25H30N2O8S MolecularWeight: 518.5793

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CC(C(C1NC(=O)OCC2=CC=CC=C2)O)(C(=O)O)N)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCC(=O)C1(CC(C(C1NC(=O)OCC2=CC=CC=C2)O)(C(=O)O)N)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C25H30N2O8S/c1-3-9-19(28)24(17-12-7-8-13-18(17)36(2,33)34)15-25(26,22(30)31)21(29)20(24)27-23(32)35-14-16-10-5-4-6-11-16/h4-8,10-13,20-21,29H,3,9,14-15,26H2,1-2H3,(H,27,32)(H,30,31)