Tyicfvfdqkeedd

Structural Information

Molecular Formula

C₇₈H₁₁₀N₁₆O₂₈S

SMILES

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

InChI

InChI=1S/C78H110N16O28S/c1-6-39(4)64(94-73(116)51(89-75(118)62(81)40(5)95)33-43-20-22-44(96)23-21-43)77(120)92-55(37-123)74(117)86-50(32-42-17-11-8-12-18-42)72(115)93-63(38(2)3)76(119)90-49(31-41-15-9-7-10-16-41)69(112)88-52(34-59(102)103)70(113)85-46(24-27-56(80)97)66(109)82-45(19-13-14-30-79)65(108)83-47(25-28-57(98)99)67(110)84-48(26-29-58(100)101)68(111)87-53(35-60(104)105)71(114)91-54(78(121)122)36-61(106)107/h7-12,15-18,20-23,38-40,45-55,62-64,95-96,123H,6,13-14,19,24-37,79,81H2,1-5H3,(H2,80,97)(H,82,109)(H,83,108)(H,84,110)(H,85,113)(H,86,117)(H,87,111)(H,88,112)(H,89,118)(H,90,119)(H,91,114)(H,92,120)(H,93,115)(H,94,116)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,121,122)/t39-,40+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1

InChIKey

YBHOUAQHGVNWEZ-XGIAYWNWSA-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,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]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 16130249