(2R)-2-azanyl-N-[[(2S)-1-[(2S,3R)-3-[6-[(2R,3S)-4-[(2S)-2-[[(5R)-5-azanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1-phenyl-hexan-3-yl]amino]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-butan-2-yl]oxyhexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-3-(4-methoxyphenyl)-N-phenethyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-[[(2S)-1-[(2S,3R)-3-[6-[(2R,3S)-4-[(2S)-2-[[(5R)-5-azanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1-phenyl-hexan-3-yl]amino]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxidanylidene-butan-2-yl]oxyhexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-3-(4-methoxyphenyl)-N-phenethyl-propanamide Openeye Name: (2R)-2-amino-N-[[(2S)-1-[(2S,3R)-3-[6-[(1R,2S)-3-[(2S)-2-[[(3R)-3-amino-4-(4-methoxyphenyl)-2-oxo-1-phenethyl-butyl]amino]pyrrolidin-1-yl]-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxo-propoxy]hexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-3-(4-methoxyphenyl)-N-phenethyl-propanamide CAS Name: (2R)-2-amino-N-[[(2S)-1-[(2S,3R)-3-[6-[(2R,3S)-4-[(2S)-2-[[(5R)-5-amino-6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-3-yl]amino]-1-pyrrolidinyl]-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinyl]methyl]-3-(4-methoxyphenyl)-N-phenethylpropanamide IUPAC Name: (2R)-2-amino-N-[[(2S)-1-[(2S,3R)-3-[6-[(2R,3S)-4-[(2S)-2-[[(5R)-5-amino-6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-3-yl]amino]pyrrolidin-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyhexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-3-(4-methoxyphenyl)-N-phenethylpropanamide Traditional Name: (2R)-2-amino-N-[[(2S)-1-[(2S,3R)-3-[6-[(1R,2S)-3-[(2S)-2-[[(3R)-3-amino-2-keto-4-(4-methoxyphenyl)-1-phenethyl-butyl]amino]pyrrolidino]-3-keto-1-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]propoxy]hexa-2,4-diynoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-3-(4-methoxyphenyl)-N-phenethyl-propionamide Formula: C68H92N10O10 MolecularWeight: 1209.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)OC)N)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N4CCCC4NC(CCC5=CC=CC=C5)C(=O)C(CC6=CC=C(C=C6)OC)N)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@@H](CC3=CC=C(C=C3)OC)N)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4NC(CCC5=CC=CC=C5)C(=O)[C@@H](CC6=CC=C(C=C6)OC)N)NC(=O)[C@H](C)NC

InChI

InChI=1S/C68H92N10O10/c1-46(71-5)64(80)74-61(67(83)77-38-19-25-54(77)45-76(40-37-51-23-15-12-16-24-51)66(82)58(70)44-53-29-34-56(86-8)35-30-53)48(3)87-41-17-9-10-18-42-88-49(4)62(75-65(81)47(2)72-6)68(84)78-39-20-26-60(78)73-59(36-31-50-21-13-11-14-22-50)63(79)57(69)43-52-27-32-55(85-7)33-28-52/h11-16,21-24,27-30,32-35,46-49,54,57-62,71-73H,19-20,25-26,31,36-45,69-70H2,1-8H3,(H,74,80)(H,75,81)/t46-,47-,48+,49+,54-,57+,58+,59?,60-,61-,62-/m0/s1