4-azanyl-2-[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]amino]-3-mercapto-propanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C16H28N6O7S2 MolecularWeight: 480.55952

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC(CS)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NCC(=O)NC(CS)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)N

InChI

InChI=1S/C16H28N6O7S2/c1-31-3-2-8(17)14(26)19-5-13(25)22-10(7-30)15(27)20-6-12(24)21-9(16(28)29)4-11(18)23/h8-10,30H,2-7,17H2,1H3,(H2,18,23)(H,19,26)(H,20,27)(H,21,24)(H,22,25)(H,28,29)