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

Systemtic Name: 4-(2-azanylethanoylamino)-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-aminoacetyl)amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-1-oxoethyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-aminoacetyl)amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-(glycylamino)-5-[[2-hydroxy-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)O)NC(=O)C(CCC(=O)O)NC(=O)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN

InChI

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