(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]-methyl-amino]-4-methyl-4-oxidanyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-3-oxidanyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]-methyl-amino]-4-methyl-4-oxidanyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-3-oxidanyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-4-hydroxy-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-hydroxy-4-methyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]-methylamino]-4-hydroxy-4-methyl-1-oxopentyl]-methylamino]-4-methyl-1-oxopentyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-3-hydroxy-4-methyl-1-oxooct-6-enyl]amino]-1-oxobutyl]-methylamino]-1-oxoethyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-methylamino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methylamino]-4-hydroxy-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloct-6-enoyl]amino]butanoyl]-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-4-hydroxy-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-hydroxy-4-methyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C62H113N11O14 MolecularWeight: 1236.62592

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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)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)O)N(C)C(=O)C(C)N

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)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)O)N(C)C(=O)[C@@H](C)N

InChI

InChI=1S/C62H113N11O14/c1-25-27-28-39(13)51(75)50(73(24)60(84)49(38(11)12)72(23)57(81)45(31-36(7)8)70(21)58(82)46(32-62(16,17)87)71(22)55(79)40(14)63)54(78)65-42(26-2)56(80)67(18)33-47(74)68(19)43(29-34(3)4)53(77)66-48(37(9)10)59(83)69(20)44(30-35(5)6)52(76)64-41(15)61(85)86/h25,27,34-46,48-51,75,87H,26,28-33,63H2,1-24H3,(H,64,76)(H,65,78)(H,66,77)(H,85,86)/b27-25+/t39-,40-,41+,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1