(2S)-N-[(2S,3R)-1-[(2S)-2-[[ethanoyl(phenethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-4-[(2S)-2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxidanylidene-butan-2-yl]-2-(methylamino)propanamide

Systemtic Name: (2S)-N-[(2S,3R)-1-[(2S)-2-[[ethanoyl(phenethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-4-[(2S)-2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxidanylidene-butan-2-yl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S,2R)-1-[(2S)-2-[[acetyl(phenethyl)amino]methyl]pyrrolidine-1-carbonyl]-2-[6-[(1R,2S)-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxo-3-[(2S)-2-[(2-oxo-1-phenethyl-propyl)amino]pyrrolidin-1-yl]propoxy]hexa-2,4-diynoxy]propyl]-2-(methylamino)propanamide CAS Name: (2S)-N-[(2S,3R)-1-[(2S)-2-[[acetyl(phenethyl)amino]methyl]-1-pyrrolidinyl]-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-4-[(2S)-2-[(4-oxo-1-phenylpentan-3-yl)amino]-1-pyrrolidinyl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide IUPAC Name: (2S)-N-[(2S,3R)-1-[(2S)-2-[[acetyl(phenethyl)amino]methyl]pyrrolidin-1-yl]-3-[6-[(2R,3S)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-4-[(2S)-2-[(4-oxo-1-phenylpentan-3-yl)amino]pyrrolidin-1-yl]butan-2-yl]oxyhexa-2,4-diynoxy]-1-oxobutan-2-yl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S,2R)-1-[(2S)-2-[[acetyl(phenethyl)amino]methyl]pyrrolidine-1-carbonyl]-2-[6-[(1R,2S)-3-keto-3-[(2S)-2-[(2-keto-1-phenethyl-propyl)amino]pyrrolidino]-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]propoxy]hexa-2,4-diynoxy]propyl]-2-(methylamino)propionamide Formula: C52H74N8O8 MolecularWeight: 939.19276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N3CCCC3NC(CCC4=CC=CC=C4)C(=O)C)NC(=O)C(C)NC

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1CN(CCC2=CC=CC=C2)C(=O)C)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N3CCC[C@H]3NC(CCC4=CC=CC=C4)C(=O)C)NC(=O)[C@H](C)NC

InChI

InChI=1S/C52H74N8O8/c1-36(53-7)49(63)56-47(51(65)59-30-19-25-44(59)35-58(41(6)62)32-29-43-23-15-12-16-24-43)39(4)67-33-17-9-10-18-34-68-40(5)48(57-50(64)37(2)54-8)52(66)60-31-20-26-46(60)55-45(38(3)61)28-27-42-21-13-11-14-22-42/h11-16,21-24,36-37,39-40,44-48,53-55H,19-20,25-35H2,1-8H3,(H,56,63)(H,57,64)/t36-,37-,39+,40+,44-,45?,46-,47-,48-/m0/s1