2-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-(3-ethylsulfanylpropanoyl)-4-methyl-N-phenethyl-pentanamide

Systemtic Name: 2-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-(3-ethylsulfanylpropanoyl)-4-methyl-N-phenethyl-pentanamide Openeye Name: 2-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-(3-ethylsulfanylpropanoyl)-4-methyl-N-phenethyl-pentanamide CAS Name: 2-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[3-(ethylthio)-1-oxopropyl]-4-methyl-N-phenethylpentanamide IUPAC Name: 2-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-(3-ethylsulfanylpropanoyl)-4-methyl-N-phenethylpentanamide Traditional Name: 2-amino-N-[3-(ethylthio)propanoyl]-4-methyl-N-phenethyl-2-(tyrosylamino)valeramide Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(=O)N(CCC1=CC=CC=C1)C(=O)C(CC(C)C)(N)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CCSCCC(=O)N(CCC1=CC=CC=C1)C(=O)C(CC(C)C)(N)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C28H40N4O4S/c1-4-37-17-15-25(34)32(16-14-21-8-6-5-7-9-21)27(36)28(30,19-20(2)3)31-26(35)24(29)18-22-10-12-23(33)13-11-22/h5-13,20,24,33H,4,14-19,29-30H2,1-3H3,(H,31,35)