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

Systemtic Name: N-(2-adamantyl)-2-azanyl-N-[2-[2-(2-azanylethanoylamino)ethanoyl-phenyl-amino]-3-phenyl-propanoyl]-4-methylsulfinyl-butanamide Openeye Name: N-(2-adamantyl)-2-amino-N-[2-(N-[2-[(2-aminoacetyl)amino]acetyl]anilino)-3-phenyl-propanoyl]-4-methylsulfinyl-butanamide CAS Name: N-(2-adamantyl)-2-amino-N-[2-(N-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]anilino)-1-oxo-3-phenylpropyl]-4-methylsulfinylbutanamide IUPAC Name: N-(2-adamantyl)-2-amino-N-[2-(N-[2-[(2-aminoacetyl)amino]acetyl]anilino)-3-phenylpropanoyl]-4-methylsulfinylbutanamide Traditional Name: N-(2-adamantyl)-2-amino-N-[2-(N-[2-(glycylamino)acetyl]anilino)-3-phenyl-propanoyl]-4-methylsulfinyl-butyramide Formula: C34H45N5O5S MolecularWeight: 635.8166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)N(C1C2CC3CC(C2)CC1C3)C(=O)C(CC4=CC=CC=C4)N(C5=CC=CC=C5)C(=O)CNC(=O)CN)N

Isomeric SMILES

CS(=O)CCC(C(=O)N(C1C2CC3CC(C2)CC1C3)C(=O)C(CC4=CC=CC=C4)N(C5=CC=CC=C5)C(=O)CNC(=O)CN)N

InChI

InChI=1S/C34H45N5O5S/c1-45(44)13-12-28(36)33(42)39(32-25-15-23-14-24(17-25)18-26(32)16-23)34(43)29(19-22-8-4-2-5-9-22)38(27-10-6-3-7-11-27)31(41)21-37-30(40)20-35/h2-11,23-26,28-29,32H,12-21,35-36H2,1H3,(H,37,40)