(3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]-1-piperidyl]-5-methyl-2-oxo-pyrimidin-1-yl]-3-(benzyloxycarbonylamino)butanoic acid CAS Name: (3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]-1-piperidinyl]-5-methyl-2-oxo-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]piperidin-1-yl]-5-methyl-2-oxopyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3R)-4-[4-[4-[(1,3-benzothiazol-2-ylamino)methyl]piperidino]-2-keto-5-methyl-pyrimidin-1-yl]-3-(benzyloxycarbonylamino)butyric acid Formula: C30H34N6O5S MolecularWeight: 590.69316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC4=CC=CC=C4S3)CC(CC(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=NC4=CC=CC=C4S3)C[C@@H](CC(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O5S/c1-20-17-36(18-23(15-26(37)38)32-30(40)41-19-22-7-3-2-4-8-22)29(39)34-27(20)35-13-11-21(12-14-35)16-31-28-33-24-9-5-6-10-25(24)42-28/h2-10,17,21,23H,11-16,18-19H2,1H3,(H,31,33)(H,32,40)(H,37,38)/t23-/m1/s1