2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-3-hydroxy-butyric acid Formula: C18H26N4O7 MolecularWeight: 410.42164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O7/c1-9(23)15(18(28)29)22-17(27)13(6-7-14(20)25)21-16(26)12(19)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,19H2,1H3,(H2,20,25)(H,21,26)(H,22,27)(H,28,29)