4-azanyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]butyric acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H21N5O5/c1-9-17-12(11-5-3-4-6-13(11)24-17)7-14(22-9)19(28)23-10(2)18(27)25-15(20(29)30)8-16(21)26/h3-7,10,15,24H,8H2,1-2H3,(H2,21,26)(H,23,28)(H,25,27)(H,29,30)