(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-azanyl-hexanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-azanyl-hexanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-amino-hexanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-1-oxopropyl]amino]-6-amino-1-oxohexyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-aminohexanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-6-amino-hexanoyl]amino]acetyl]amino]glutaric acid Formula: C18H31N5O8 MolecularWeight: 445.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C

InChI

InChI=1S/C18H31N5O8/c1-10(21-11(2)24)16(28)23-12(5-3-4-8-19)17(29)20-9-14(25)22-13(18(30)31)6-7-15(26)27/h10,12-13H,3-9,19H2,1-2H3,(H,20,29)(H,21,24)(H,22,25)(H,23,28)(H,26,27)(H,30,31)/t10-,12-,13-/m0/s1