2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-methyl-pentanamide

Systemtic Name: 2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-methyl-pentanamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methyl-pentanamide CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-3-methyl-2-[[2-(tyrosylamino)acetyl]amino]valeramide Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C26H35N5O5/c1-3-16(2)23(26(36)30-21(24(28)34)14-17-7-5-4-6-8-17)31-22(33)15-29-25(35)20(27)13-18-9-11-19(32)12-10-18/h4-12,16,20-21,23,32H,3,13-15,27H2,1-2H3,(H2,28,34)(H,29,35)(H,30,36)(H,31,33)