(E,5R,6R)-5-methyl-7-(methylamino)-8-[[1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylid

Systemtic Name: (E,5R,6R)-5-methyl-7-(methylamino)-8-[[1-[methyl-[2-[methyl-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylid Openeye Name: (E,5R,6R)-8-[1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-2-oxo-ethyl]-methyl-carbamoyl]propylamino]-6-hydroxy-5-methyl-7-(methylamino)-8-oxo-oct-2-enoic acid CAS Name: (E,5R,6R)-6-hydroxy-8-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-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]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxobutan-2-yl]amino]-5-methyl-7-(methylamino)-8-oxo-2-octenoic acid IUPAC Name: (E,5R,6R)-6-hydroxy-8-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-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]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxobutan-2-yl]amino]-5-methyl-7-(methylamino)-8-oxooct-2-enoic acid Traditional Name: (E,5R,6R)-8-[1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-3-methyl-butyl]-methyl-amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-2-keto-ethyl]-methyl-carbamoyl]propylamino]-6-hydroxy-8-keto-5-methyl-7-(methylamino)oct-2-enoic acid Formula: C62H111N11O15 MolecularWeight: 1250.60944

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

Isomeric SMILES

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

InChI

InChI=1S/C62H111N11O15/c1-24-42(66-56(81)50(63-17)52(77)39(14)26-25-27-48(75)76)58(83)68(18)32-47(74)69(19)43(28-33(2)3)55(80)67-49(37(10)11)61(86)70(20)44(29-34(4)5)54(79)64-40(15)53(78)65-41(16)57(82)71(21)45(30-35(6)7)59(84)72(22)46(31-36(8)9)60(85)73(23)51(38(12)13)62(87)88/h25,27,33-46,49-52,63,77H,24,26,28-32H2,1-23H3,(H,64,79)(H,65,78)(H,66,81)(H,67,80)(H,75,76)(H,87,88)/b27-25+/t39-,40-,41-,42?,43+,44+,45+,46+,49+,50?,51+,52-/m1/s1