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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-(carboxymethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C18H22N4O6/c19-12(5-6-15(23)24)17(27)22-14(18(28)21-9-16(25)26)7-10-8-20-13-4-2-1-3-11(10)13/h1-4,8,12,14,20H,5-7,9,19H2,(H,21,28)(H,22,27)(H,23,24)(H,25,26)