sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2,3-dimethoxyphenyl)propanoylamino]hexanoate

Systemtic Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2,3-dimethoxyphenyl)propanoylamino]hexanoate Openeye Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-[3-(2,3-dimethoxyphenyl)propanoylamino]hexanoate CAS Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[[3-(2,3-dimethoxyphenyl)-1-oxopropyl]amino]hexanoate IUPAC Name: sodium (2S)-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-[3-(2,3-dimethoxyphenyl)propanoylamino]hexanoate Traditional Name: sodium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[isobutyl(sulfanilyl)amino]hexanoate Formula: C27H38N3NaO7S MolecularWeight: 571.66129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)CCC1=C(C(=CC=C1)OC)OC)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)CCC1=C(C(=CC=C1)OC)OC)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N.[Na+]

InChI

InChI=1S/C27H39N3O7S.Na/c1-19(2)18-30(38(34,35)22-14-12-21(28)13-15-22)23(27(32)33)9-5-6-17-29-25(31)16-11-20-8-7-10-24(36-3)26(20)37-4;/h7-8,10,12-15,19,23H,5-6,9,11,16-18,28H2,1-4H3,(H,29,31)(H,32,33);/q;+1/p-1/t23-;/m0./s1