(2S)-2-azanyl-4-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-phenyl]carbonyloxycarbonyl-pent-4-enoic acid

Systemtic Name: (2S)-2-azanyl-4-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-phenyl]carbonyloxycarbonyl-pent-4-enoic acid Openeye Name: (2S)-2-amino-4-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methyl-benzoyl]oxycarbonyl-pent-4-enoic acid CAS Name: (2S)-2-amino-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylphenyl]-oxomethoxy]-oxomethyl]-4-pentenoic acid IUPAC Name: (2S)-2-amino-4-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylbenzoyl]oxycarbonylpent-4-enoic acid Traditional Name: (2S)-2-amino-4-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2-methyl-benzoyl]oxycarbonyl-pent-4-enoic acid Formula: C21H21N7O6 MolecularWeight: 467.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)OC(=O)C(=C)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)OC(=O)C(=C)C[C@@H](C(=O)O)N

InChI

InChI=1S/C21H21N7O6/c1-9-5-11(24-7-12-8-25-16-15(26-12)17(29)28-21(23)27-16)3-4-13(9)20(33)34-19(32)10(2)6-14(22)18(30)31/h3-5,8,14,24H,2,6-7,22H2,1H3,(H,30,31)(H3,23,25,27,28,29)/t14-/m0/s1