3-[[(4R,5R,6R)-3-[(3-carboxyphenyl)methyl]-5-oxidanyl-2-oxidanylidene-6-phenethyl-4-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[(4R,5R,6R)-3-[(3-carboxyphenyl)methyl]-5-oxidanyl-2-oxidanylidene-6-phenethyl-4-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzoic acid Openeye Name: 3-[[(4R,5R,6R)-4-benzyl-3-[(3-carboxyphenyl)methyl]-5-hydroxy-2-oxo-6-phenethyl-hexahydropyrimidin-1-yl]methyl]benzoic acid CAS Name: 3-[[(4R,5R,6R)-3-[(3-carboxyphenyl)methyl]-5-hydroxy-2-oxo-6-phenethyl-4-(phenylmethyl)-1,3-diazinan-1-yl]methyl]benzoic acid IUPAC Name: 3-[[(4R,5R,6R)-4-benzyl-3-[(3-carboxyphenyl)methyl]-5-hydroxy-2-oxo-6-phenethyl-1,3-diazinan-1-yl]methyl]benzoic acid Traditional Name: 3-[[(4R,5R,6R)-4-benzyl-3-(3-carboxybenzyl)-5-hydroxy-2-keto-6-phenethyl-hexahydropyrimidin-1-yl]methyl]benzoic acid Formula: C35H34N2O6 MolecularWeight: 578.65426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(C(N(C(=O)N2CC3=CC=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C(=O)O)CC5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2CC3=CC=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C(=O)O)CC5=CC=CC=C5)O

InChI

InChI=1S/C35H34N2O6/c38-32-30(18-17-24-9-3-1-4-10-24)36(22-26-13-7-15-28(19-26)33(39)40)35(43)37(31(32)21-25-11-5-2-6-12-25)23-27-14-8-16-29(20-27)34(41)42/h1-16,19-20,30-32,38H,17-18,21-23H2,(H,39,40)(H,41,42)/t30-,31-,32-/m1/s1