4-azanyl-2,9-dimethyl-7-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid

Systemtic Name: 4-azanyl-2,9-dimethyl-7-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid Openeye Name: 4-amino-7-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methyl-pentanoyl]amino]-5-hydroxy-2,9-dimethyl-6-oxo-decane-5-sulfonic acid CAS Name: 4-amino-5-hydroxy-2,9-dimethyl-7-[[4-methyl-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentyl]amino]-6-oxo-5-decanesulfonic acid IUPAC Name: 4-amino-5-hydroxy-2,9-dimethyl-7-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]-6-oxodecane-5-sulfonic acid Traditional Name: 4-amino-7-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methyl-pentanoyl]amino]-5-hydroxy-6-keto-2,9-dimethyl-decane-5-sulfonic acid Formula: C29H48N4O9S MolecularWeight: 628.77782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H48N4O9S/c1-17(2)13-22(25(34)29(38,43(39,40)41)24(30)15-19(5)6)32-27(36)23(14-18(3)4)33-26(35)20(7)31-28(37)42-16-21-11-9-8-10-12-21/h8-12,17-20,22-24,38H,13-16,30H2,1-7H3,(H,31,37)(H,32,36)(H,33,35)(H,39,40,41)