methyl 3-azanyl-2-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoyl-methyl-amino]-3-phenyl-propanoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-azanyl-2-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoyl-methyl-amino]-3-phenyl-propanoyl]adamantane-1-carboxylate Openeye Name: methyl 3-amino-2-[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]-methyl-amino]-3-phenyl-propanoyl]adamantane-1-carboxylate CAS Name: 3-amino-2-[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]-methylamino]-1-oxo-3-phenylpropyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]-methylamino]-3-phenylpropanoyl]adamantane-1-carboxylate Traditional Name: 3-amino-2-[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]-methyl-amino]-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester Formula: C29H42N4O5S MolecularWeight: 558.73258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC)C(=O)CNC(=O)C(CCSC)N

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC)C(=O)CNC(=O)C(CCSC)N

InChI

InChI=1S/C29H42N4O5S/c1-33(23(34)17-32-26(36)21(30)9-10-39-3)22(12-18-7-5-4-6-8-18)24(35)25-28(27(37)38-2)13-19-11-20(14-28)16-29(25,31)15-19/h4-8,19-22,25H,9-17,30-31H2,1-3H3,(H,32,36)