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

Systemtic Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-3-oxidanyl-oct-6-enoyl]amino]butanoyl]-methyl-amino]propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
Openeye Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-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]propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
CAS Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]-methylamino]-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-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid
IUPAC Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloct-6-enoyl]amino]butanoyl]-methylamino]propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Traditional Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]-methyl-amino]-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]propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid
Formula:	C₆₉H₁₁₉N₁₁O₁₃
MolecularWeight:	1310.74906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)C(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(CC1=CC=CC=C1)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)N(C)C(=O)C(C)N

Isomeric SMILES

CC[C@@H](C(=O)N(C)[C@H](C)C(=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](CC1=CC=CC=C1)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)N(C)C(=O)[C@@H](C)N

InChI

InChI=1S/C69H119N11O13/c1-25-27-31-45(15)58(81)57(80(24)68(91)56(44(13)14)79(23)66(89)54(37-42(9)10)78(22)65(88)53(36-41(7)8)77(21)62(85)46(16)70)61(84)71-49(26-2)64(87)74(18)47(17)63(86)75(19)52(35-40(5)6)60(83)73-55(43(11)12)67(90)76(20)51(34-39(3)4)59(82)72-50(69(92)93)38-48-32-29-28-30-33-48/h25,27-30,32-33,39-47,49-58,81H,26,31,34-38,70H2,1-24H3,(H,71,84)(H,72,82)(H,73,83)(H,92,93)/b27-25+/t45-,46-,47-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1

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