5-azanyl-4-[[2-[(3-azanyl-2-sulfanyl-5-sulfo-pentanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[[2-[(3-azanyl-2-sulfanyl-5-sulfo-pentanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[[2-[(3-amino-2-sulfanyl-5-sulfo-pentanoyl)amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[(3-amino-2-mercapto-1-oxo-5-sulfopentyl)amino]-3-methyl-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[[2-[(3-amino-2-sulfanyl-5-sulfopentanoyl)amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-4-[[2-[(3-amino-2-mercapto-5-sulfo-pentanoyl)amino]-3-methyl-pentanoyl]amino]-5-keto-valeric acid Formula: C16H30N4O8S2 MolecularWeight: 470.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C(CCS(=O)(=O)O)N)S

InChI

InChI=1S/C16H30N4O8S2/c1-3-8(2)12(15(24)19-10(14(18)23)4-5-11(21)22)20-16(25)13(29)9(17)6-7-30(26,27)28/h8-10,12-13,29H,3-7,17H2,1-2H3,(H2,18,23)(H,19,24)(H,20,25)(H,21,22)(H,26,27,28)