tert-butyl N-[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(E,2S,3R,4R)-4-methyl-1-[[(2S)-1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-oct-6-en-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxid

Systemtic Name: tert-butyl N-[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(E,2S,3R,4R)-4-methyl-1-[[(2S)-1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-oct-6-en-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxid Openeye Name: tert-butyl N-[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(E,1S,2R,3R)-2-hydroxy-3-methyl-1-[[(1S)-1-[methyl-[2-[methyl-[(1S)-3-methyl-1-[[(1S)-2-methyl-1-[methyl-[(1S)-3-methyl-1-[[(1S)-1-methyl-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]propyl]carbamoyl]butyl]amino]-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]hept-5-enyl]-methyl-carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(E,2S,3R,4R)-3-hydroxy-4-methyl-1-[[(2S)-1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxooct-6-en-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(E,2S,3R,4R)-3-hydroxy-4-methyl-1-[[(2S)-1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxooct-6-en-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(E,1S,2R,3R)-2-hydroxy-1-[[(1S)-1-[[2-keto-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]-methyl-amino]ethyl]-methyl-carbamoyl]propyl]carbamoyl]-3-methyl-hept-5-enyl]-methyl-carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C67H121N11O14 MolecularWeight: 1304.74294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C67H121N11O14/c1-28-30-31-44(15)56(81)55(78(27)65(90)54(43(13)14)77(26)63(88)51(35-41(9)10)76(25)62(87)50(34-40(7)8)75(24)60(85)46(17)69-66(91)92-67(18,19)20)59(84)70-47(29-2)61(86)72(21)36-52(80)73(22)48(32-38(3)4)58(83)71-53(42(11)12)64(89)74(23)49(33-39(5)6)57(82)68-45(16)37-79/h28,30,37-51,53-56,81H,29,31-36H2,1-27H3,(H,68,82)(H,69,91)(H,70,84)(H,71,83)/b30-28+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1