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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-(1H-indol-3-ylmethylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-(carboxymethylamino)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-3-(1H-indol-3-ylmethylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-3-(1H-indol-3-ylmethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-(carboxymethylamino)-1-[(1H-indol-3-ylmethylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6S/c20-13(5-6-16(24)25)18(28)23-15(19(29)22-8-17(26)27)10-30-9-11-7-21-14-4-2-1-3-12(11)14/h1-4,7,13,15,21H,5-6,8-10,20H2,(H,22,29)(H,23,28)(H,24,25)(H,26,27)