methyl (2R)-2-[[(2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2R)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC[C@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C18H22N4O4S/c1-3-13(27-18-21-14(19)10-15(23)22-18)16(24)20-12(17(25)26-2)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,20,24)(H3,19,21,22,23)/t12-,13-/m1/s1