Akdlevvtstyvlvea

Structural Information

Molecular Formula

C₇₈H₁₂₉N₁₇O₂₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C78H129N17O27/c1-34(2)29-49(85-68(111)52(32-56(104)105)86-65(108)46(19-17-18-28-79)82-63(106)40(13)80)67(110)83-48(25-27-55(102)103)66(109)90-59(38(9)10)74(117)93-60(39(11)12)75(118)95-62(43(16)98)77(120)89-53(33-96)71(114)94-61(42(15)97)76(119)88-51(31-44-20-22-45(99)23-21-44)70(113)92-58(37(7)8)73(116)87-50(30-35(3)4)69(112)91-57(36(5)6)72(115)84-47(24-26-54(100)101)64(107)81-41(14)78(121)122/h20-23,34-43,46-53,57-62,96-99H,17-19,24-33,79-80H2,1-16H3,(H,81,107)(H,82,106)(H,83,110)(H,84,115)(H,85,111)(H,86,108)(H,87,116)(H,88,119)(H,89,120)(H,90,109)(H,91,112)(H,92,113)(H,93,117)(H,94,114)(H,95,118)(H,100,101)(H,102,103)(H,104,105)(H,121,122)/t40-,41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

BWOVDBWTOFERFZ-ZJZKIBGGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186496