(4S)-5-[[2-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-4-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-[[2-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-4-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (4S)-5-[[2-[[(1S,2S)-1-[[(1S)-2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-[[2-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-[[2-[[(2S,3S)-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: (4S)-5-[[2-[[(1S,2S)-1-[[(1S)-2-(carboxymethylamino)-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-4-[[(2S)-prolyl]amino]valeric acid Formula: C23H38N6O9 MolecularWeight: 542.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C23H38N6O9/c1-4-12(2)19(23(38)27-13(3)20(35)26-11-18(33)34)29-16(30)10-25-21(36)15(7-8-17(31)32)28-22(37)14-6-5-9-24-14/h12-15,19,24H,4-11H2,1-3H3,(H,25,36)(H,26,35)(H,27,38)(H,28,37)(H,29,30)(H,31,32)(H,33,34)/t12-,13-,14-,15-,19-/m0/s1