4-azanyl-5-[[6-azanyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[2-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-5-keto-valeric acid Formula: C19H33N5O7S MolecularWeight: 475.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C19H33N5O7S/c20-8-2-1-4-12(22-16(27)11(21)6-7-15(25)26)18(29)24-9-3-5-14(24)17(28)23-13(10-32)19(30)31/h11-14,32H,1-10,20-21H2,(H,22,27)(H,23,28)(H,25,26)(H,30,31)