[4-[(E)-2-nitroethenyl]phenyl] 4-[[(2S)-1-[[(2S)-1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]benzenesulfonate hydrochloride

Systemtic Name: [4-[(E)-2-nitroethenyl]phenyl] 4-[[(2S)-1-[[(2S)-1-(2-azanylethylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]benzenesulfonate hydrochloride Openeye Name: [4-[(E)-2-nitrovinyl]phenyl] 4-[[(1S)-2-[[(1S)-2-(2-aminoethylamino)-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]benzenesulfonate hydrochloride CAS Name: 4-[[[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-oxomethyl]benzenesulfonic acid [4-[(E)-2-nitroethenyl]phenyl] ester hydrochloride IUPAC Name: [4-[(E)-2-nitroethenyl]phenyl] 4-[[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]benzenesulfonate hydrochloride Traditional Name: 4-[[(1S)-2-[[(1S)-2-(2-aminoethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]benzenesulfonic acid [4-[(E)-2-nitrovinyl]phenyl] ester hydrochloride Formula: C23H28ClN5O8S MolecularWeight: 570.01512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NCCN)NC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C[N+](=O)[O-].Cl

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)NCCN)NC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C/[N+](=O)[O-].Cl

InChI

InChI=1S/C23H27N5O8S.ClH/c1-15(21(29)25-13-12-24)26-22(30)16(2)27-23(31)18-5-9-20(10-6-18)37(34,35)36-19-7-3-17(4-8-19)11-14-28(32)33;/h3-11,14-16H,12-13,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31);1H/b14-11+;/t15-,16-;/m0./s1