(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(E,3R,4R)-8-ethoxy-4-methyl-2-(methylamino)-3-oxidanyl-8-oxidanylidene-oct-6-enoyl]amino]butanoyl-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(E,3R,4R)-8-ethoxy-4-methyl-2-(methylamino)-3-oxidanyl-8-oxidanylidene-oct-6-enoyl]amino]butanoyl-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[(E,3R,4R)-8-ethoxy-3-hydroxy-4-methyl-2-(methylamino)-8-oxo-oct-6-enoyl]amino]butanoyl-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(E,3R,4R)-8-ethoxy-3-hydroxy-4-methyl-2-(methylamino)-1,8-dioxooct-6-enyl]amino]-1-oxobutyl]-methylamino]-1-oxoethyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-methylamino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[(E,3R,4R)-8-ethoxy-3-hydroxy-4-methyl-2-(methylamino)-8-oxooct-6-enoyl]amino]butanoyl-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[[(E,3R,4R)-8-ethoxy-3-hydroxy-8-keto-4-methyl-2-(methylamino)oct-6-enoyl]amino]butanoyl-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butyric acid Formula: C64H115N11O15 MolecularWeight: 1278.6626

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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)OCC)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)OCC)O)NC

InChI

InChI=1S/C64H115N11O15/c1-25-44(68-58(82)52(65-18)54(78)41(15)28-27-29-50(77)90-26-2)60(84)70(19)34-49(76)71(20)45(30-35(3)4)57(81)69-51(39(11)12)63(87)72(21)46(31-36(5)6)56(80)66-42(16)55(79)67-43(17)59(83)73(22)47(32-37(7)8)61(85)74(23)48(33-38(9)10)62(86)75(24)53(40(13)14)64(88)89/h27,29,35-48,51-54,65,78H,25-26,28,30-34H2,1-24H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)(H,88,89)/b29-27+/t41-,42-,43-,44?,45+,46+,47+,48+,51+,52?,53+,54-/m1/s1