(2S)-3-[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pyrimidin-4-yl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-4-pyrimidinyl]-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[[1-[6-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pyrimidin-4-yl]isonipecotoyl]amino]propionic acid Formula: C26H34N8O5 MolecularWeight: 538.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=NCCCN2)N3CCC(CC3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NCCCN2)N3CCC(CC3)C(=O)NC[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N8O5/c1-17-14-21(32-25(30-17)33-24-27-10-5-11-28-24)34-12-8-19(9-13-34)22(35)29-15-20(23(36)37)31-26(38)39-16-18-6-3-2-4-7-18/h2-4,6-7,14,19-20H,5,8-13,15-16H2,1H3,(H,29,35)(H,31,38)(H,36,37)(H2,27,28,30,32,33)/t20-/m0/s1