methyl 3-[[[(2R)-2-[3-[(3-azanyl-4-sulfanyl-butyl)amino]-6-phenyl-pyridin-2-yl]oxypropanoyl]amino]methyl]benzoate

Systemtic Name: methyl 3-[[[(2R)-2-[3-[(3-azanyl-4-sulfanyl-butyl)amino]-6-phenyl-pyridin-2-yl]oxypropanoyl]amino]methyl]benzoate Openeye Name: methyl 3-[[[(2R)-2-[[3-[(3-amino-4-sulfanyl-butyl)amino]-6-phenyl-2-pyridyl]oxy]propanoyl]amino]methyl]benzoate CAS Name: 3-[[[(2R)-2-[[3-[(3-amino-4-mercaptobutyl)amino]-6-phenyl-2-pyridinyl]oxy]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[(2R)-2-[3-[(3-amino-4-sulfanylbutyl)amino]-6-phenylpyridin-2-yl]oxypropanoyl]amino]methyl]benzoate Traditional Name: 3-[[[(2R)-2-[[3-[(3-amino-4-mercapto-butyl)amino]-6-phenyl-2-pyridyl]oxy]propanoyl]amino]methyl]benzoic acid methyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC(=C1)C(=O)OC)OC2=C(C=CC(=N2)C3=CC=CC=C3)NCCC(CS)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC(=C1)C(=O)OC)OC2=C(C=CC(=N2)C3=CC=CC=C3)NCCC(CS)N

InChI

InChI=1S/C27H32N4O4S/c1-18(25(32)30-16-19-7-6-10-21(15-19)27(33)34-2)35-26-24(29-14-13-22(28)17-36)12-11-23(31-26)20-8-4-3-5-9-20/h3-12,15,18,22,29,36H,13-14,16-17,28H2,1-2H3,(H,30,32)/t18-,22?/m1/s1