5-azanyl-N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 5-azanyl-N-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: 5-amino-N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-benzyl-2-[(1-carbamoyl-3-methylsulfanyl-propyl)amino]-2-oxo-ethyl]pentanamide CAS Name: 5-amino-N-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[1-[[1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 5-amino-N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: 5-amino-N-[1-benzyl-2-[[1-carbamoyl-3-(methylthio)propyl]amino]-2-keto-ethyl]-N-tyrosyl-valeramide Formula: C28H39N5O5S MolecularWeight: 557.70476

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)CCCCN)C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N(C(=O)CCCCN)C(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C28H39N5O5S/c1-39-16-14-23(26(31)36)32-27(37)24(18-19-7-3-2-4-8-19)33(25(35)9-5-6-15-29)28(38)22(30)17-20-10-12-21(34)13-11-20/h2-4,7-8,10-13,22-24,34H,5-6,9,14-18,29-30H2,1H3,(H2,31,36)(H,32,37)