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

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]-3-mercapto-propionic 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(CC(=O)N)C(=O)NC(CS)C(=O)O)N

Isomeric SMILES

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

InChI

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