Ac-glu-asp-val-val-pro-azanval-ser-met-ser-tyr-thr-trp-thr-gly-lys-oh

Structural Information

Molecular Formula

C₇₇H₁₁₆N₁₈O₂₆S

SMILES

CCCN(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C77H116N18O26S/c1-10-28-95(93-71(114)56-19-15-29-94(56)75(118)61(39(4)5)90-73(116)60(38(2)3)89-68(111)53(33-59(105)106)85-64(107)48(81-42(8)100)24-25-58(103)104)77(121)88-55(37-97)70(113)83-49(26-30-122-9)65(108)87-54(36-96)69(112)84-51(31-43-20-22-45(101)23-21-43)66(109)92-63(41(7)99)74(117)86-52(32-44-34-79-47-17-12-11-16-46(44)47)67(110)91-62(40(6)98)72(115)80-35-57(102)82-50(76(119)120)18-13-14-27-78/h11-12,16-17,20-23,34,38-41,48-56,60-63,79,96-99,101H,10,13-15,18-19,24-33,35-37,78H2,1-9H3,(H,80,115)(H,81,100)(H,82,102)(H,83,113)(H,84,112)(H,85,107)(H,86,117)(H,87,108)(H,88,121)(H,89,111)(H,90,116)(H,91,110)(H,92,109)(H,93,114)(H,103,104)(H,105,106)(H,119,120)/t40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+,61+,62+,63+/m1/s1

InChIKey

FGGKNQBFBQZFPS-JPYRFTPHSA-N

Compound name

(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-propylcarbamoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-6-aminohexanoic acid

Related CIDs

• CID 16130910