2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-3-methyl-valeric acid Formula: C20H36N4O5S MolecularWeight: 444.58864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C20H36N4O5S/c1-5-12(4)16(20(28)29)23-18(26)15-7-6-8-24(15)19(27)14(10-30)22-17(25)13(21)9-11(2)3/h11-16,30H,5-10,21H2,1-4H3,(H,22,25)(H,23,26)(H,28,29)