(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethanoylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-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-[[(4S)-4-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethanoylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-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-[[(4S)-4-[[4-[[2-(2-amino-4-oxo-1H-pteridin-6-yl)acetyl]amino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]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-[[(4S)-4-[[[4-[[2-(2-amino-4-oxo-1H-pteridin-6-yl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]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-[[(4S)-4-[[4-[[2-(2-amino-4-oxo-1H-pteridin-6-yl)acetyl]amino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]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-[[(4S)-4-[[4-[[2-(2-amino-4-keto-1H-pteridin-6-yl)acetyl]amino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C40H47N11O19 MolecularWeight: 985.86348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=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)C(=O)O)NC(=O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=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)C(=O)O)NC(=O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C40H47N11O19/c41-40-50-32-31(34(60)51-40)44-19(16-42-32)15-29(56)43-18-3-1-17(2-4-18)33(59)49-24(39(69)70)8-13-28(55)47-22(37(65)66)6-11-26(53)45-20(35(61)62)5-10-25(52)46-21(36(63)64)7-12-27(54)48-23(38(67)68)9-14-30(57)58/h1-4,16,20-24H,5-15H2,(H,43,56)(H,45,53)(H,46,52)(H,47,55)(H,48,54)(H,49,59)(H,57,58)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H3,41,42,50,51,60)/t20-,21-,22-,23-,24-/m0/s1