Oh-phe-asn-leu-thr-ser-nh-c(=o)-(ch2)12-c(=o)-n-pro-gln-ile-thr-leu-trp-oh

Structural Information

Molecular Formula

C₇₇H₁₂₀N₁₆O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C77H120N16O18/c1-9-45(6)64(75(109)92-66(47(8)96)77(111)88-55(36-43(2)3)70(104)86-54(68(81)102)39-49-41-82-51-29-24-23-28-50(49)51)90-69(103)52(33-34-60(78)97)84-74(108)59-30-25-35-93(59)63(100)32-22-17-15-13-11-10-12-14-16-21-31-62(99)83-58(42-94)73(107)91-65(46(7)95)76(110)89-56(37-44(4)5)71(105)87-57(40-61(79)98)72(106)85-53(67(80)101)38-48-26-19-18-20-27-48/h18-20,23-24,26-29,41,43-47,52-59,64-66,82,94-96H,9-17,21-22,25,30-40,42H2,1-8H3,(H2,78,97)(H2,79,98)(H2,80,101)(H2,81,102)(H,83,99)(H,84,108)(H,85,106)(H,86,104)(H,87,105)(H,88,111)(H,89,110)(H,90,103)(H,91,107)(H,92,109)/t45-,46+,47+,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-/m0/s1

InChIKey

YZUOKZILMDWMOR-XTDBVNKWSA-N

Compound name

(2S)-2-[[(2S)-1-[14-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-14-oxotetradecanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide

Related CIDs

• CID 471176