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

Structural Information

Molecular Formula

C₈₂H₁₂₂N₂₀O₃₁S

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)NNC(=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@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)O

InChI

InChI=1S/C82H122N20O31S/c1-37(2)62(95-72(122)54(32-61(115)116)91-67(117)48(23-24-59(111)112)89-78(128)65(40(6)106)99-71(121)53(31-60(113)114)86-42(8)108)77(127)96-63(38(3)4)80(130)102-27-14-18-57(102)75(125)100-101-82(133)94-56(36-104)74(124)88-49(25-28-134-9)68(118)93-55(35-103)73(123)90-51(29-43-19-21-45(109)22-20-43)69(119)98-66(41(7)107)79(129)92-52(30-44-33-84-47-16-11-10-15-46(44)47)70(120)97-64(39(5)105)76(126)85-34-58(110)87-50(81(131)132)17-12-13-26-83/h10-11,15-16,19-22,33,37-41,48-57,62-66,84,103-107,109H,12-14,17-18,23-32,34-36,83H2,1-9H3,(H,85,126)(H,86,108)(H,87,110)(H,88,124)(H,89,128)(H,90,123)(H,91,117)(H,92,129)(H,93,118)(H,95,122)(H,96,127)(H,97,120)(H,98,119)(H,99,121)(H,100,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)(H2,94,101,133)/t39-,40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,62+,63+,64+,65+,66+/m1/s1

InChIKey

FEWKZOYDUBIDBC-LWGOVLQWSA-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-[[(2S,3R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]carbamoylamino]-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 16130911