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

Systemtic Name: 3-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid Traditional Name: 3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(carboxymethylamino)-4-keto-butyric acid Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6/c18-11(5-9-7-19-12-4-2-1-3-10(9)12)16(26)21-13(6-14(22)23)17(27)20-8-15(24)25/h1-4,7,11,13,19H,5-6,8,18H2,(H,20,27)(H,21,26)(H,22,23)(H,24,25)