4-azanyl-3-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-ethanoyl-amino]-4-sulfanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]-ethanoyl-amino]-4-sulfanylidene-butanoic acid Openeye Name: 3-[acetyl-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-thioxo-butanoic acid CAS Name: 3-[acetyl-[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-4-sulfanylidenebutanoic acid IUPAC Name: 3-[acetyl-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-sulfanylidenebutanoic acid Traditional Name: 3-[acetyl-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-thioxo-butyric acid Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O5S/c1-12(2)8-18(23(33)28(13(3)29)19(21(25)34)10-20(30)31)27-22(32)16(24)9-14-11-26-17-7-5-4-6-15(14)17/h4-7,11-12,16,18-19,26H,8-10,24H2,1-3H3,(H2,25,34)(H,27,32)(H,30,31)