(2S)-2-[[4-[2-[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenyl]carbonylamino]-5-[(3,4,5-trimethoxyphenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-2-[[4-[2-[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenyl]carbonylamino]-5-[(3,4,5-trimethoxyphenyl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid CAS Name: (2S)-2-[[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]-5-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid Traditional Name: (2S)-2-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[(3,4,5-trimethoxybenzoyl)amino]valeric acid Formula: C30H35N7O7 MolecularWeight: 605.6416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=C3C(=NC(=N4)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C30H35N7O7/c1-42-21-13-19(14-22(43-2)24(21)44-3)27(38)33-12-4-5-20(29(40)41)35-28(39)17-9-6-16(7-10-17)8-11-18-15-34-26-23(18)25(31)36-30(32)37-26/h6-7,9-10,13-15,20H,4-5,8,11-12H2,1-3H3,(H,33,38)(H,35,39)(H,40,41)(H5,31,32,34,36,37)/t20-/m0/s1