methyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(octanoylamino)pentanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(octanoylamino)pentanoyl]amino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(octanoylamino)pentanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-1-oxo-2-(1-oxooctylamino)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(octanoylamino)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S,3S)-2-(caprylylamino)-3-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H40N2O4 MolecularWeight: 384.5533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C21H40N2O4/c1-7-9-10-11-12-13-18(24)23-19(16(5)8-2)20(25)22-17(14-15(3)4)21(26)27-6/h15-17,19H,7-14H2,1-6H3,(H,22,25)(H,23,24)/t16-,17-,19-/m0/s1