4-[(2-azanyl-3-methyl-pentanoyl)amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(2-azanyl-3-methyl-pentanoyl)amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-3-methyl-pentanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-3-methyl-1-oxopentyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-3-methylpentanoyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[(2-amino-3-methyl-pentanoyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N

InChI

InChI=1S/C22H30N4O6/c1-3-12(2)19(23)21(30)25-16(8-9-18(27)28)20(29)26-17(22(31)32)10-13-11-24-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,19,24H,3,8-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)