5-azanyl-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-keto-valeric acid Formula: C23H27N3O8S MolecularWeight: 505.54078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCC(=O)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC(CCC(=O)N)C(=O)O)OC

InChI

InChI=1S/C23H27N3O8S/c1-33-19-9-7-16(12-20(19)34-2)35(31,32)26-13-15-6-4-3-5-14(15)11-18(26)22(28)25-17(23(29)30)8-10-21(24)27/h3-7,9,12,17-18H,8,10-11,13H2,1-2H3,(H2,24,27)(H,25,28)(H,29,30)/t17?,18-/m0/s1