Akdlevvcstyvlvea

Structural Information

Molecular Formula

C₇₇H₁₂₇N₁₇O₂₆S

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](CS)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/C77H127N17O26S/c1-34(2)28-48(84-67(109)51(31-56(102)103)85-64(106)45(18-16-17-27-78)81-62(104)40(13)79)66(108)82-47(24-26-55(100)101)65(107)90-60(39(11)12)75(117)93-59(38(9)10)74(116)89-53(33-121)71(113)88-52(32-95)70(112)94-61(42(15)96)76(118)87-50(30-43-19-21-44(97)22-20-43)69(111)92-58(37(7)8)73(115)86-49(29-35(3)4)68(110)91-57(36(5)6)72(114)83-46(23-25-54(98)99)63(105)80-41(14)77(119)120/h19-22,34-42,45-53,57-61,95-97,121H,16-18,23-33,78-79H2,1-15H3,(H,80,105)(H,81,104)(H,82,108)(H,83,114)(H,84,109)(H,85,106)(H,86,115)(H,87,118)(H,88,113)(H,89,116)(H,90,107)(H,91,110)(H,92,111)(H,93,117)(H,94,112)(H,98,99)(H,100,101)(H,102,103)(H,119,120)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-,60-,61-/m0/s1

InChIKey

JXERMERNMVJBNF-BONPWHEBSA-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-[[(2R)-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]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16142907