(2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[2-[[(2S)-3-methyl-2-(octadecanoylamino)butanoyl]amino]ethanoylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[2-[[(2S)-3-methyl-2-(octadecanoylamino)butanoyl]amino]ethanoylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-amino-2-oxo-ethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-3-methyl-2-(octadecanoylamino)butanoyl]amino]acetyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-3-methyl-1-oxo-2-(1-oxooctadecylamino)butyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-3-methyl-2-(octadecanoylamino)butanoyl]amino]acetyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-amino-2-keto-ethyl)-1-[(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-3-methyl-2-stearamido-butanoyl]amino]acetyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide Formula: C40H73N7O7 MolecularWeight: 764.05032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N

InChI

InChI=1S/C40H73N7O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33(49)45-35(28(2)3)38(52)43-27-34(50)46-36(29(4)5)39(53)44-30(6)40(54)47-25-22-23-31(47)37(51)42-26-32(41)48/h28-31,35-36H,7-27H2,1-6H3,(H2,41,48)(H,42,51)(H,43,52)(H,44,53)(H,45,49)(H,46,50)/t30-,31-,35-,36-/m0/s1