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

Systemtic Name: 2-[[4-azanyl-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]propionic acid Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-9(18(27)28)22-17(26)14(7-15(20)24)23-16(25)12(19)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)