methyl (2S)-4-methyl-2-[2-[[(E)-3-[(2S)-1-[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]pyrrolidin-2-yl]prop-2-enoyl]amino]ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-[[(E)-3-[(2S)-1-[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]pyrrolidin-2-yl]prop-2-enoyl]amino]ethanoylamino]pentanoate Openeye Name: methyl (2S)-2-[[2-[[(E)-3-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]prop-2-enoyl]amino]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[2-[[(E)-3-[(2S)-1-[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[[(E)-3-[(2S)-1-[(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]butanoyl]pyrrolidin-2-yl]prop-2-enoyl]amino]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[[(E)-3-[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]acryloyl]amino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C38H66N6O9 MolecularWeight: 750.96544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C=CC(=O)NCC(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1/C=C/C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H66N6O9/c1-13-25(8)32(43-33(47)27(19-22(2)3)41-37(51)53-38(9,10)11)34(48)42-31(24(6)7)35(49)44-18-14-15-26(44)16-17-29(45)39-21-30(46)40-28(20-23(4)5)36(50)52-12/h16-17,22-28,31-32H,13-15,18-21H2,1-12H3,(H,39,45)(H,40,46)(H,41,51)(H,42,48)(H,43,47)/b17-16+/t25-,26-,27-,28-,31-,32-/m0/s1