[(1S)-2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate

Systemtic Name: [(1S)-2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate Openeye Name: [(1S)-2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxo-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate CAS Name: 3-methoxy-5-methyl-1-naphthalenecarboxylic acid [(1S)-2-[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl] ester IUPAC Name: [(1S)-2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate Traditional Name: 3-methoxy-5-methyl-naphthalene-1-carboxylic acid [(1S)-2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-keto-1-[(2S)-2-methyloxiran-2-yl]ethyl] ester Formula: C29H36N4O6 MolecularWeight: 536.61934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=C(C=C12)OC)C(=O)OC(C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C4(CO4)C

Isomeric SMILES

CC1=CC=CC2=C(C=C(C=C12)OC)C(=O)O[C@H](C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)[C@@]4(CO4)C

InChI

InChI=1S/C29H36N4O6/c1-18-9-7-10-21-22(18)14-20(37-6)15-23(21)28(36)39-25(29(2)17-38-29)27(35)31-19-13-24(33(5)16-19)26(34)30-11-8-12-32(3)4/h7,9-10,13-16,25H,8,11-12,17H2,1-6H3,(H,30,34)(H,31,35)/t25-,29+/m1/s1