5-azanyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]valeric acid Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5/c1-10-18-13(12-5-3-4-6-14(12)25-18)9-16(23-10)20(29)24-11(2)19(28)26-15(21(30)31)7-8-17(22)27/h3-6,9,11,15,25H,7-8H2,1-2H3,(H2,22,27)(H,24,29)(H,26,28)(H,30,31)