4-[[4-[[1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydroindol-5-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-[[1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydroindol-5-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-[[1-[(2,4-diaminopteridin-6-yl)methyl]indoline-5-carbonyl]amino]-5-hydroxy-5-oxo-pentyl]carbamoyl]benzoic acid CAS Name: 4-[[[4-[[[1-[(2,4-diamino-6-pteridinyl)methyl]-2,3-dihydroindol-5-yl]-oxomethyl]amino]-5-hydroxy-5-oxopentyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-[[1-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydroindole-5-carbonyl]amino]-5-hydroxy-5-oxopentyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-[[1-[(2,4-diaminopteridin-6-yl)methyl]indoline-5-carbonyl]amino]-5-hydroxy-5-keto-pentyl]carbamoyl]benzoic acid Formula: C29H29N9O6 MolecularWeight: 599.59726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=O)NC(CCCNC(=O)C3=CC=C(C=C3)C(=O)O)C(=O)O)CC4=CN=C5C(=N4)C(=NC(=N5)N)N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=O)NC(CCCNC(=O)C3=CC=C(C=C3)C(=O)O)C(=O)O)CC4=CN=C5C(=N4)C(=NC(=N5)N)N

InChI

InChI=1S/C29H29N9O6/c30-23-22-24(37-29(31)36-23)33-13-19(34-22)14-38-11-9-17-12-18(7-8-21(17)38)26(40)35-20(28(43)44)2-1-10-32-25(39)15-3-5-16(6-4-15)27(41)42/h3-8,12-13,20H,1-2,9-11,14H2,(H,32,39)(H,35,40)(H,41,42)(H,43,44)(H4,30,31,33,36,37)