prop-2-enyl 2-[[(2R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-hexadecanoylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: prop-2-enyl 2-[[(2R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-hexadecanoylsulfanyl-propanoyl]amino]ethanoate Openeye Name: allyl 2-[[(2R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-hexadecanoylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[(2R)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxo-3-(1-oxohexadecylthio)propyl]amino]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hexadecanoylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-(hexadecanoylthio)propanoyl]amino]acetic acid allyl ester Formula: C30H55N3O5S MolecularWeight: 569.8398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC(C(=O)NCC(=O)OCC=C)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)NCC(=O)OCC=C)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C30H55N3O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-28(35)39-23-26(33-29(36)25(31)21-24(3)4)30(37)32-22-27(34)38-20-6-2/h6,24-26H,2,5,7-23,31H2,1,3-4H3,(H,32,37)(H,33,36)/t25-,26-/m0/s1