(4S)-4-[[4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: (4S)-4-[[4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: (4S)-4-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-benzyloxy-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: (4S)-4-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: (4S)-4-[[4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-benzoxy-5-keto-valeric acid Formula: C27H27N5O6 MolecularWeight: 517.53318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=C3C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=C3C(=O)N=C(N4)N

InChI

InChI=1S/C27H27N5O6/c28-27-31-23-22(25(36)32-27)19(14-29-23)11-8-16-6-9-18(10-7-16)24(35)30-20(12-13-21(33)34)26(37)38-15-17-4-2-1-3-5-17/h1-7,9-10,14,20H,8,11-13,15H2,(H,30,35)(H,33,34)(H4,28,29,31,32,36)/t20-/m0/s1