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

Systemtic Name: 4-azanyl-7-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2,9-dimethyl-5-oxidanyl-6-oxidanylidene-decane-5-sulfonic acid Openeye Name: 4-amino-7-[2-aminopropanoyl(benzyloxycarbonyl)amino]-5-hydroxy-2,9-dimethyl-6-oxo-decane-5-sulfonic acid CAS Name: 4-amino-7-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-5-hydroxy-2,9-dimethyl-6-oxo-5-decanesulfonic acid IUPAC Name: 4-amino-7-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-5-hydroxy-2,9-dimethyl-6-oxodecane-5-sulfonic acid Traditional Name: 7-[alanyl(carbobenzoxy)amino]-4-amino-5-hydroxy-6-keto-2,9-dimethyl-decane-5-sulfonic acid Formula: C23H37N3O8S MolecularWeight: 515.62018

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O8S/c1-14(2)11-18(20(27)23(30,35(31,32)33)19(25)12-15(3)4)26(21(28)16(5)24)22(29)34-13-17-9-7-6-8-10-17/h6-10,14-16,18-19,30H,11-13,24-25H2,1-5H3,(H,31,32,33)