(2S)-2-[[4-[2-[(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid; 3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one

Systemtic Name: (2S)-2-[[4-[2-[(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid; 3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one Openeye Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid; 3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one CAS Name: (2S)-2-[[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid; 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone IUPAC Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid; 3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one Traditional Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-keto-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]glutaric acid; 3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one Formula: C37H36N8O8 MolecularWeight: 720.73054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=C(N2)C3=C4C=CC=CC4=NC3=O)NO

Isomeric SMILES

C1[C@H](CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=C(N2)C3=C4C=CC=CC4=NC3=O)NO

InChI

InChI=1S/C21H25N5O6.C16H11N3O2/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28;20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30);1-8,17,19,21H/t12-,15+;/m1./s1