(2S)-2-[[4-[[2,4-bis(azanyl)-8aH-pteridin-1-yl]methylamino]-2-chloranyl-phenyl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-[[2,4-bis(azanyl)-8aH-pteridin-1-yl]methylamino]-2-chloranyl-phenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[2-chloro-4-[(2,4-diamino-8aH-pteridin-1-yl)methylamino]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[2-chloro-4-[(2,4-diamino-8aH-pteridin-1-yl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-chloro-4-[(2,4-diamino-8aH-pteridin-1-yl)methylamino]benzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-chloro-4-[(2,4-diamino-8aH-pteridin-1-yl)methylamino]benzoyl]amino]succinic acid Formula: C18H19ClN8O5 MolecularWeight: 462.84706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCN2C3C(=C(N=C2N)N)N=CC=N3)Cl)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NCN2C3C(=C(N=C2N)N)N=CC=N3)Cl)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C18H19ClN8O5/c19-10-5-8(1-2-9(10)16(30)25-11(17(31)32)6-12(28)29)24-7-27-15-13(22-3-4-23-15)14(20)26-18(27)21/h1-5,11,15,24H,6-7,20H2,(H2,21,26)(H,25,30)(H,28,29)(H,31,32)/t11-,15?/m0/s1