(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-azanyl-hexyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-azanyl-hexyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-6-amino-hexyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-6-aminohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-6-aminohexyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-6-amino-hexyl]proline Formula: C20H35N5O8 MolecularWeight: 473.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)CN1CCCC1C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)CN1CCC[C@H]1C(=O)O

InChI

InChI=1S/C20H35N5O8/c1-12(27)22-15(11-26)19(31)24-14(9-17(28)29)18(30)23-13(5-2-3-7-21)10-25-8-4-6-16(25)20(32)33/h13-16,26H,2-11,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,32,33)/t13-,14-,15-,16-/m0/s1