Fyicevfdqkeedd

Structural Information

Molecular Formula

C₇₉H₁₁₀N₁₆O₂₉S

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](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)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](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C79H110N16O29S/c1-5-40(4)65(95-75(119)52(34-43-19-21-44(96)22-20-43)88-66(110)45(81)32-41-14-8-6-9-15-41)78(122)93-56(38-125)76(120)87-50(26-30-60(102)103)71(115)94-64(39(2)3)77(121)91-51(33-42-16-10-7-11-17-42)72(116)90-53(35-61(104)105)73(117)86-47(23-27-57(82)97)68(112)83-46(18-12-13-31-80)67(111)84-48(24-28-58(98)99)69(113)85-49(25-29-59(100)101)70(114)89-54(36-62(106)107)74(118)92-55(79(123)124)37-63(108)109/h6-11,14-17,19-22,39-40,45-56,64-65,96,125H,5,12-13,18,23-38,80-81H2,1-4H3,(H2,82,97)(H,83,112)(H,84,111)(H,85,113)(H,86,117)(H,87,120)(H,88,110)(H,89,114)(H,90,116)(H,91,121)(H,92,118)(H,93,122)(H,94,115)(H,95,119)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,123,124)/t40-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-/m0/s1

InChIKey

OBUFWWSWBMYUOY-VKMUBGHXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130252