2-[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[2-(glycylamino)-4-methyl-pentanoyl]amino]acetyl]amino]-3-mercapto-propionic acid Formula: C13H24N4O5S MolecularWeight: 348.41846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)CN

InChI

InChI=1S/C13H24N4O5S/c1-7(2)3-8(16-10(18)4-14)12(20)15-5-11(19)17-9(6-23)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)