ethyl (2S)-2-[2-[[(2S)-2-acetamido-6-azanyl-hexanoyl]amino]ethanoylamino]-5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name: ethyl (2S)-2-[2-[[(2S)-2-acetamido-6-azanyl-hexanoyl]amino]ethanoylamino]-5-azanyl-5-oxidanylidene-pentanoate Openeye Name: ethyl (2S)-2-[[2-[[(2S)-2-acetamido-6-amino-hexanoyl]amino]acetyl]amino]-5-amino-5-oxo-pentanoate CAS Name: (2S)-2-[[2-[[(2S)-2-acetamido-6-amino-1-oxohexyl]amino]-1-oxoethyl]amino]-5-amino-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]acetyl]amino]-5-amino-5-oxopentanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-acetamido-6-amino-hexanoyl]amino]acetyl]amino]-5-amino-5-keto-valeric acid ethyl ester Formula: C17H31N5O6 MolecularWeight: 401.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H31N5O6/c1-3-28-17(27)13(7-8-14(19)24)22-15(25)10-20-16(26)12(21-11(2)23)6-4-5-9-18/h12-13H,3-10,18H2,1-2H3,(H2,19,24)(H,20,26)(H,21,23)(H,22,25)/t12-,13-/m0/s1