2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]amino]-3-methyl-valeric acid Formula: C16H29N5O6S MolecularWeight: 419.49636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O6S/c1-4-7(2)12(16(26)27)21-15(25)10(5-11(18)22)20-13(23)8(3)19-14(24)9(17)6-28/h7-10,12,28H,4-6,17H2,1-3H3,(H2,18,22)(H,19,24)(H,20,23)(H,21,25)(H,26,27)