Sdtyicevedqkeev

Structural Information

Molecular Formula

C₇₄H₁₁₄N₁₆O₃₃S

SMILES

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

InChI

InChI=1S/C74H114N16O33S/c1-8-34(6)58(89-68(116)45(27-36-12-14-37(93)15-13-36)85-73(121)59(35(7)92)90-69(117)47(29-55(106)107)83-60(108)38(76)30-91)72(120)86-48(31-124)70(118)81-43(19-24-52(100)101)65(113)87-56(32(2)3)71(119)82-42(18-23-51(98)99)64(112)84-46(28-54(104)105)67(115)80-41(17-22-50(96)97)62(110)77-39(11-9-10-26-75)61(109)78-40(16-21-49(94)95)63(111)79-44(20-25-53(102)103)66(114)88-57(33(4)5)74(122)123/h12-15,32-35,38-48,56-59,91-93,124H,8-11,16-31,75-76H2,1-7H3,(H,77,110)(H,78,109)(H,79,111)(H,80,115)(H,81,118)(H,82,119)(H,83,108)(H,84,112)(H,85,121)(H,86,120)(H,87,113)(H,88,114)(H,89,116)(H,90,117)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,122,123)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,56-,57-,58-,59-/m0/s1

InChIKey

CMGQIUFJTNOHPO-XBYCKEOBSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197268