4-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-5-[[5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-5-[[5-[bis(azanyl)methylideneamino]-1-(carboxymethylamino)-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]amino]-5-[[1-(carboxymethylcarbamoyl)-4-guanidino-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]amino]-5-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-5-[[1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]amino]-5-[[1-(carboxymethylcarbamoyl)-4-guanidino-butyl]amino]-5-keto-valeric acid Formula: C18H32N8O8S MolecularWeight: 520.56048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CS)N)CN=C(N)N

Isomeric SMILES

C(CC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CS)N)CN=C(N)N

InChI

InChI=1S/C18H32N8O8S/c19-9(8-35)15(32)23-6-12(27)25-11(3-4-13(28)29)17(34)26-10(2-1-5-22-18(20)21)16(33)24-7-14(30)31/h9-11,35H,1-8,19H2,(H,23,32)(H,24,33)(H,25,27)(H,26,34)(H,28,29)(H,30,31)(H4,20,21,22)