(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-ammonio-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-ammonio-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valerate Formula: C18H35N3O4 MolecularWeight: 357.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1