4-azanyl-7-[(2-azanyl-3-phenyl-propanoyl)-phenylmethoxycarbonyl-amino]-2,9-dimethyl-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid

Systemtic Name: 4-azanyl-7-[(2-azanyl-3-phenyl-propanoyl)-phenylmethoxycarbonyl-amino]-2,9-dimethyl-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid Openeye Name: 4-amino-7-[(2-amino-3-phenyl-propanoyl)-benzyloxycarbonyl-amino]-5-hydroxy-2,9-dimethyl-6-oxo-decane-5-sulfonic acid CAS Name: 4-amino-7-[(2-amino-1-oxo-3-phenylpropyl)-phenylmethoxycarbonylamino]-5-hydroxy-2,9-dimethyl-6-oxo-5-decanesulfonic acid IUPAC Name: 4-amino-7-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-5-hydroxy-2,9-dimethyl-6-oxodecane-5-sulfonic acid Traditional Name: 4-amino-7-[carbobenzoxy(phenylalanyl)amino]-5-hydroxy-6-keto-2,9-dimethyl-decane-5-sulfonic acid Formula: C29H41N3O8S MolecularWeight: 591.71614

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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)N(C(=O)C(CC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O)N(C(=O)C(CC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H41N3O8S/c1-19(2)15-24(26(33)29(36,41(37,38)39)25(31)16-20(3)4)32(28(35)40-18-22-13-9-6-10-14-22)27(34)23(30)17-21-11-7-5-8-12-21/h5-14,19-20,23-25,36H,15-18,30-31H2,1-4H3,(H,37,38,39)