2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-5-amino-5-keto-pentanoyl]amino]-3-phenyl-propionic acid Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C20H29N5O6/c1-11(21)17(27)23-12(2)18(28)24-14(8-9-16(22)26)19(29)25-15(20(30)31)10-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,25,29)(H,30,31)