2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C21H29N5O5S/c1-32-9-8-17(21(30)31)26-20(29)16(6-7-18(23)27)25-19(28)14(22)10-12-11-24-15-5-3-2-4-13(12)15/h2-5,11,14,16-17,24H,6-10,22H2,1H3,(H2,23,27)(H,25,28)(H,26,29)(H,30,31)