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

Systemtic Name: 4-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: 4-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(carboxymethylamino)-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)NC(CCC(=O)O)C(=O)NCC(=O)O)N

Isomeric SMILES

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

InChI

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