3-[[2-[[4-methyl-2-[3-naphthalen-2-yl-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]pentanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-[[4-methyl-2-[3-naphthalen-2-yl-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]pentanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-[[2-[2-(hydroxyamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[2-[[2-[1-(hydroxyamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[2-[[2-[1-(hydroxyamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-[[2-[2-(hydroxyamino)-2-keto-1-(2-naphthylmethyl)ethyl]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid Formula: C31H39N3O7S MolecularWeight: 597.72226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1=CC2=CC=CC=C2C=C1)C(=O)NO)C(=O)NC(CC3=CC=CC=C3)C(=O)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)CC(C(CC1=CC2=CC=CC=C2C=C1)C(=O)NO)C(=O)NC(CC3=CC=CC=C3)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C31H39N3O7S/c1-21(2)17-26(27(30(36)34-38)19-23-13-14-24-11-6-7-12-25(24)18-23)29(35)33-28(20-22-9-4-3-5-10-22)31(37)32-15-8-16-42(39,40)41/h3-7,9-14,18,21,26-28,38H,8,15-17,19-20H2,1-2H3,(H,32,37)(H,33,35)(H,34,36)(H,39,40,41)