N-[1-[[2-[2-adamantyl-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-azanyl-4-methyl-pentanamide

Systemtic Name: N-[1-[[2-[2-adamantyl-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-azanyl-4-methyl-pentanamide Openeye Name: N-[1-[[2-[2-adamantyl-(2-amino-1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]-2-amino-4-methyl-pentanamide CAS Name: N-[1-[[2-[2-adamantyl-(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-amino-4-methylpentanamide IUPAC Name: N-[1-[[2-[2-adamantyl-(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-amino-4-methylpentanamide Traditional Name: N-[1-[[2-[2-adamantyl-(2-amino-1-benzyl-2-keto-ethyl)amino]-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-2-amino-4-methyl-valeramide Formula: C32H49N5O4S MolecularWeight: 599.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)N(C1C2CC3CC(C2)CC1C3)C(CC4=CC=CC=C4)C(=O)N)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NCC(=O)N(C1C2CC3CC(C2)CC1C3)C(CC4=CC=CC=C4)C(=O)N)N

InChI

InChI=1S/C32H49N5O4S/c1-19(2)11-25(33)31(40)36-26(9-10-42-3)32(41)35-18-28(38)37(27(30(34)39)17-20-7-5-4-6-8-20)29-23-13-21-12-22(15-23)16-24(29)14-21/h4-8,19,21-27,29H,9-18,33H2,1-3H3,(H2,34,39)(H,35,41)(H,36,40)