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

Systemtic Name: 4-azanyl-2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butyric acid Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)O)N

InChI

InChI=1S/C18H23N5O5S/c19-11(5-9-7-21-12-4-2-1-3-10(9)12)16(25)23-14(8-29)17(26)22-13(18(27)28)6-15(20)24/h1-4,7,11,13-14,21,29H,5-6,8,19H2,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)