D-v-k-q-l-t-e-a-v-q-k-i-t-t-e-s-i

Structural Information

Molecular Formula

C₈₂H₁₄₃N₂₁O₃₀

SMILES

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

InChI

InChI=1S/C82H143N21O30/c1-15-39(9)61(78(128)102-65(44(14)107)81(131)103-64(43(13)106)80(130)94-51(26-30-57(112)113)72(122)96-53(35-104)75(125)100-62(82(132)133)40(10)16-2)99-73(123)47(22-18-20-32-84)89-70(120)49(24-28-55(87)109)92-76(126)59(37(5)6)97-66(116)41(11)88-68(118)50(25-29-56(110)111)93-79(129)63(42(12)105)101-74(124)52(33-36(3)4)95-71(121)48(23-27-54(86)108)90-69(119)46(21-17-19-31-83)91-77(127)60(38(7)8)98-67(117)45(85)34-58(114)115/h36-53,59-65,104-107H,15-35,83-85H2,1-14H3,(H2,86,108)(H2,87,109)(H,88,118)(H,89,120)(H,90,119)(H,91,127)(H,92,126)(H,93,129)(H,94,130)(H,95,121)(H,96,122)(H,97,116)(H,98,117)(H,99,123)(H,100,125)(H,101,124)(H,102,128)(H,103,131)(H,110,111)(H,112,113)(H,114,115)(H,132,133)/t39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,59-,60-,61-,62-,63-,64-,65-/m0/s1

InChIKey

KMDZQWNQWMNRFJ-PSTGLFJOSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16186090