methyl 2-[[(2S)-4-azanyl-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoate

Systemtic Name: methyl 2-[[(2S)-4-azanyl-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoate Openeye Name: methyl 2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]propanoate CAS Name: 2-[[(2S)-4-amino-2-[methyl-[[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]-methylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-4-amino-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]-methylamino]propanoate Traditional Name: 2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]prolyl]-methyl-amino]-4-keto-butanoyl]-methyl-amino]propionic acid methyl ester Formula: C37H65N7O10 MolecularWeight: 767.9529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C37H65N7O10/c1-20(2)27(39-36(52)54-37(8,9)10)32(48)42(13)28(21(3)4)33(49)43(14)29(22(5)6)34(50)44-18-16-17-24(44)30(46)41(12)25(19-26(38)45)31(47)40(11)23(7)35(51)53-15/h20-25,27-29H,16-19H2,1-15H3,(H2,38,45)(H,39,52)/t23?,24-,25-,27-,28?,29-/m0/s1