(2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-5-methyl-2-oxo-pyrimidin-1-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-5-methyl-2-oxo-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-5-methyl-2-oxopyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[4-[5-(1H-benzimidazol-2-ylamino)pentylamino]-2-keto-5-methyl-pyrimidin-1-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C28H33N7O5 MolecularWeight: 547.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCCCCNC2=NC3=CC=CC=C3N2)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCCCCNC2=NC3=CC=CC=C3N2)C[C@@H](C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H33N7O5/c1-19-16-35(17-23(25(36)37)33-28(39)40-18-20-10-4-2-5-11-20)27(38)34-24(19)29-14-8-3-9-15-30-26-31-21-12-6-7-13-22(21)32-26/h2,4-7,10-13,16,23H,3,8-9,14-15,17-18H2,1H3,(H,33,39)(H,36,37)(H,29,34,38)(H2,30,31,32)/t23-/m0/s1