(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-keto-5-methyl-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C35H46N10O15 MolecularWeight: 846.79774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C35H46N10O15/c1-45-18(15-38-28-27(45)30(52)44-35(36)43-28)14-37-17-4-2-16(3-5-17)29(51)42-22(34(59)60)8-12-25(48)40-20(32(55)56)6-10-23(46)39-19(31(53)54)7-11-24(47)41-21(33(57)58)9-13-26(49)50/h2-5,18-22,37H,6-15H2,1H3,(H,39,46)(H,40,48)(H,41,47)(H,42,51)(H,49,50)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H4,36,38,43,44,52)/t18?,19-,20-,21-,22-/m0/s1