N-[(2S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]amino]-1-oxidanylidene-hexan-2-yl]-2-(2-sulfanylethanoyl)nonanamide

Systemtic Name: N-[(2S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]amino]-1-oxidanylidene-hexan-2-yl]-2-(2-sulfanylethanoyl)nonanamide Openeye Name: N-[(1S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]carbamoyl]pentyl]-2-(2-sulfanylacetyl)nonanamide CAS Name: N-[(2S)-1-[[2-(ethylamino)-4-methyl-1-oxopentyl]amino]-1-oxohexan-2-yl]-2-(2-mercapto-1-oxoethyl)nonanamide IUPAC Name: N-[(2S)-1-[[2-(ethylamino)-4-methylpentanoyl]amino]-1-oxohexan-2-yl]-2-(2-sulfanylacetyl)nonanamide Traditional Name: N-[(1S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]carbamoyl]pentyl]-2-(2-mercaptoacetyl)pelargonamide Formula: C25H47N3O4S MolecularWeight: 485.72338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CS)C(=O)NC(CCCC)C(=O)NC(=O)C(CC(C)C)NCC

Isomeric SMILES

CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C(CC(C)C)NCC

InChI

InChI=1S/C25H47N3O4S/c1-6-9-11-12-13-14-19(22(29)17-33)23(30)27-20(15-10-7-2)24(31)28-25(32)21(26-8-3)16-18(4)5/h18-21,26,33H,6-17H2,1-5H3,(H,27,30)(H,28,31,32)/t19?,20-,21?/m0/s1