4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid

Systemtic Name: 4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid Openeye Name: 4-[[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid CAS Name: 4-[[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid IUPAC Name: 4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoic acid Traditional Name: 4-[[1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C21H29N3O4S/c1-12(2)8-15(18(29)10-19(25)26)20(27)24-17(21(28)22-3)9-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23,29H,8-10H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)