methyl 2-[2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(4-azanyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[2-(4-amino-6-oxo-hexahydropyrimidin-2-yl)sulfanylbutanoylamino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4-amino-6-oxo-1,3-diazinan-2-yl)thio]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]butanoylamino]-3-phenylpropanoate Traditional Name: 2-[2-[(4-amino-6-keto-hexahydropyrimidin-2-yl)thio]butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2NC(CC(=O)N2)N

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)SC2NC(CC(=O)N2)N

InChI

InChI=1S/C18H26N4O4S/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/h4-8,12-14,18,21H,3,9-10,19H2,1-2H3,(H,20,24)(H,22,23)