N-[2-[[1-[2-adamantyl-(2-azanyl-4-methylsulfinyl-butanoyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-3-methyl-butanamide

Systemtic Name: N-[2-[[1-[2-adamantyl-(2-azanyl-4-methylsulfinyl-butanoyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-azanyl-3-methyl-butanamide Openeye Name: N-[2-[[2-[2-adamantyl-(2-amino-4-methylsulfinyl-butanoyl)amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-amino-3-methyl-butanamide CAS Name: N-[2-[[1-[2-adamantyl-(2-amino-4-methylsulfinyl-1-oxobutyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-3-methylbutanamide IUPAC Name: N-[2-[[1-[2-adamantyl-(2-amino-4-methylsulfinylbutanoyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-amino-3-methylbutanamide Traditional Name: N-[2-[[2-[2-adamantyl-(2-amino-4-methylsulfinyl-butanoyl)amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]-2-amino-3-methyl-butyramide Formula: C31H47N5O5S MolecularWeight: 601.80038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)N

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(CCS(=O)C)N)N

InChI

InChI=1S/C31H47N5O5S/c1-18(2)27(33)29(38)34-17-26(37)35-25(16-19-7-5-4-6-8-19)31(40)36(30(39)24(32)9-10-42(3)41)28-22-12-20-11-21(14-22)15-23(28)13-20/h4-8,18,20-25,27-28H,9-17,32-33H2,1-3H3,(H,34,38)(H,35,37)