4-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]-3-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-6-yl)methylamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-carbamoyl-3-(phenylthio)-1H-indol-6-yl]methylamino]-4-keto-butyric acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CC(=O)O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CC(=O)O)N)C(=O)N

InChI

InChI=1S/C20H20N4O4S/c21-14(9-16(25)26)20(28)23-10-11-6-7-13-15(8-11)24-17(19(22)27)18(13)29-12-4-2-1-3-5-12/h1-8,14,24H,9-10,21H2,(H2,22,27)(H,23,28)(H,25,26)