(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[[1-[(2R,4S,5R)-5-(hydroxymethyl)-3-methylidene-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[[1-[(2R,4S,5R)-5-(hydroxymethyl)-3-methylidene-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-2-oxolanyl]-2-oxo-4-pyrimidinyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[(2R,4S,5R)-4-hydroxy-3-methylene-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]amino]-5-keto-valeric acid Formula: C29H30N10O9 MolecularWeight: 662.6101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(OC1N2C=CC(=NC2=O)NC(=O)CCC(C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)N=C(N5)N)CO)O

Isomeric SMILES

C=C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)N=C(N5)N)CO)O

InChI

InChI=1S/C29H30N10O9/c1-13-22(42)18(12-40)48-26(13)39-9-8-19(36-29(39)47)35-20(41)7-6-17(27(45)46)34-24(43)14-2-4-15(5-3-14)31-10-16-11-32-23-21(33-16)25(44)38-28(30)37-23/h2-5,8-9,11,17-18,22,26,31,40,42H,1,6-7,10,12H2,(H,34,43)(H,45,46)(H,35,36,41,47)(H3,30,32,37,38,44)/t17-,18+,22-,26+/m0/s1