2-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanylidene-pentanoyl]amino]-3-hexylsulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanylidene-pentanoyl]amino]-3-hexylsulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[(4S)-4-amino-5-oxo-pentanoyl]amino]-3-hexylsulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[(4S)-4-amino-1,5-dioxopentyl]amino]-3-(hexylthio)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[(4S)-4-amino-5-oxopentanoyl]amino]-3-hexylsulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[(4S)-4-amino-5-keto-pentanoyl]amino]-3-(hexylthio)propanoyl]amino]acetic acid Formula: C16H29N3O5S MolecularWeight: 375.48356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C=O)N

Isomeric SMILES

CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C=O)N

InChI

InChI=1S/C16H29N3O5S/c1-2-3-4-5-8-25-11-13(16(24)18-9-15(22)23)19-14(21)7-6-12(17)10-20/h10,12-13H,2-9,11,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)/t12-,13-/m0/s1