(4S)-4-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-octadecanoyloxy-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-5-octadecanoyloxy-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-octadecanoyloxy-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-oxo-5-(1-oxooctadecoxy)pentanoic acid IUPAC Name: (4S)-4-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-octadecanoyloxy-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-1-glycylprolyl]amino]-5-keto-5-stearoyloxy-valeric acid Formula: C30H53N3O7 MolecularWeight: 567.75772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN

InChI

InChI=1S/C30H53N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(37)40-30(39)24(20-21-27(35)36)32-29(38)25-18-17-22-33(25)26(34)23-31/h24-25H,2-23,31H2,1H3,(H,32,38)(H,35,36)/t24-,25-/m0/s1