methyl (2S)-4-methyl-2-[2-[[(E)-2-methyl-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)-2-methyl-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]-2-methyl-prop-2-enoyl]amino]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[2-[[(E)-2-methyl-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)-2-methyl-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]-2-methyl-acryloyl]amino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C39H68N6O9 MolecularWeight: 764.99202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C=C(C)C(=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)/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/C39H68N6O9/c1-14-25(8)32(44-34(48)28(18-22(2)3)42-38(52)54-39(10,11)12)35(49)43-31(24(6)7)36(50)45-17-15-16-27(45)20-26(9)33(47)40-21-30(46)41-29(19-23(4)5)37(51)53-13/h20,22-25,27-29,31-32H,14-19,21H2,1-13H3,(H,40,47)(H,41,46)(H,42,52)(H,43,49)(H,44,48)/b26-20+/t25-,27-,28-,29-,31-,32-/m0/s1