4-(carboxymethylamino)-3-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(carboxymethylamino)-3-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: 4-(carboxymethylamino)-3-[[2-[[2-[[2-[[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(carboxymethylamino)-3-[[2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-(carboxymethylamino)-4-keto-butyric acid Formula: C20H32N6O11S MolecularWeight: 564.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H32N6O11S/c1-20(2,3)37-19(36)26-11(9-38)18(35)23-6-13(28)21-5-12(27)22-7-14(29)25-10(4-15(30)31)17(34)24-8-16(32)33/h10-11,38H,4-9H2,1-3H3,(H,21,28)(H,22,27)(H,23,35)(H,24,34)(H,25,29)(H,26,36)(H,30,31)(H,32,33)