2-[[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(1-glycylprolyl)amino]-3-mercapto-propanoyl]amino]-3-methyl-valeric acid Formula: C16H28N4O5S MolecularWeight: 388.48232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)C1CCCN1C(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)C1CCCN1C(=O)CN

InChI

InChI=1S/C16H28N4O5S/c1-3-9(2)13(16(24)25)19-14(22)10(8-26)18-15(23)11-5-4-6-20(11)12(21)7-17/h9-11,13,26H,3-8,17H2,1-2H3,(H,18,23)(H,19,22)(H,24,25)