Ho-phe-asn-leu-thr-ser-nh-c(=o)-(ch2)5-c=c-(ch2)5-c(=o)-n-pro-gln-ile-thr-leu-trp-oh, (e)-

Structural Information

Molecular Formula

C₇₇H₁₁₆N₁₄O₂₀

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)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCCC/C=C/CCCCCC(=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)O

InChI

InChI=1S/C77H116N14O20/c1-9-45(6)64(73(105)90-66(47(8)94)75(107)85-54(37-44(4)5)69(101)87-57(77(110)111)39-49-41-80-51-29-24-23-28-50(49)51)88-67(99)52(33-34-60(78)95)82-72(104)59-30-25-35-91(59)63(98)32-22-17-15-13-11-10-12-14-16-21-31-62(97)81-58(42-92)71(103)89-65(46(7)93)74(106)84-53(36-43(2)3)68(100)83-55(40-61(79)96)70(102)86-56(76(108)109)38-48-26-19-18-20-27-48/h10-11,18-20,23-24,26-29,41,43-47,52-59,64-66,80,92-94H,9,12-17,21-22,25,30-40,42H2,1-8H3,(H2,78,95)(H2,79,96)(H,81,97)(H,82,104)(H,83,100)(H,84,106)(H,85,107)(H,86,102)(H,87,101)(H,88,99)(H,89,103)(H,90,105)(H,108,109)(H,110,111)/b11-10+/t45-,46+,47+,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-/m0/s1

InChIKey

BCJNWHNKDSPHBT-XZITUHMLSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(E)-14-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-14-oxotetradec-7-enoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16130323
• CID 16130327