N-(2-adamantyl)-2-azanyl-N-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoyl-methyl-amino]-3-phenyl-propanoyl]-4-methylsulfinyl-butanamide

Systemtic Name: N-(2-adamantyl)-2-azanyl-N-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]ethanoyl-methyl-amino]-3-phenyl-propanoyl]-4-methylsulfinyl-butanamide Openeye Name: N-(2-adamantyl)-2-amino-N-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]acetyl]-methyl-amino]-3-phenyl-propanoyl]-4-methylsulfinyl-butanamide CAS Name: N-(2-adamantyl)-2-amino-N-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]-methylamino]-1-oxo-3-phenylpropyl]-4-methylsulfinylbutanamide IUPAC Name: N-(2-adamantyl)-2-amino-N-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]-methylamino]-3-phenylpropanoyl]-4-methylsulfinylbutanamide Traditional Name: N-(2-adamantyl)-2-amino-N-[2-[methyl-[2-(phenylalanylamino)acetyl]amino]-3-phenyl-propanoyl]-4-methylsulfinyl-butyramide Formula: C36H49N5O5S MolecularWeight: 663.86976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)C(=O)CNC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)C(=O)CNC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C36H49N5O5S/c1-40(32(42)22-39-34(43)30(38)20-23-9-5-3-6-10-23)31(21-24-11-7-4-8-12-24)36(45)41(35(44)29(37)13-14-47(2)46)33-27-16-25-15-26(18-27)19-28(33)17-25/h3-12,25-31,33H,13-22,37-38H2,1-2H3,(H,39,43)