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3-azanyl-8-methyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid

3-azanyl-8-methyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid

Systemtic Name:3-azanyl-8-methyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid
Openeye Name:3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-8-methyl-5-oxo-nonane-4-sulfonic acid
CAS Name:3-amino-4-hydroxy-8-methyl-5-oxo-6-(phenylmethoxycarbonylamino)-4-nonanesulfonic acid
IUPAC Name:3-amino-4-hydroxy-8-methyl-5-oxo-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid
Traditional Name:3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-5-keto-8-methyl-nonane-4-sulfonic acid
Formula: C18H28N2O7S
MolecularWeight: 416.48912
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H28N2O7S/c1-4-15(19)18(23,28(24,25)26)16(21)14(10-12(2)3)20-17(22)27-11-13-8-6-5-7-9-13/h5-9,12,14-15,23H,4,10-11,19H2,1-3H3,(H,20,22)(H,24,25,26)


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