Nh2-arg-arg-nal-ala-tyr-arg-lys-d-lys-pro-tyr-arg-cit-ala-arg-oh

Structural Information

Molecular Formula

C₉₀H₁₄₃N₃₃O₁₈

SMILES

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C90H143N33O18/c1-50(71(126)119-66(84(139)140)25-14-43-109-89(102)103)111-74(129)61(24-13-44-110-90(104)141)115-76(131)64(23-12-42-108-88(100)101)117-81(136)68(48-53-30-35-58(125)36-31-53)122-82(137)70-26-15-45-123(70)83(138)65(20-6-8-38-92)118-77(132)60(19-5-7-37-91)114-75(130)63(22-11-41-107-87(98)99)116-80(135)67(47-52-28-33-57(124)34-29-52)120-72(127)51(2)112-79(134)69(49-54-27-32-55-16-3-4-17-56(55)46-54)121-78(133)62(21-10-40-106-86(96)97)113-73(128)59(93)18-9-39-105-85(94)95/h3-4,16-17,27-36,46,50-51,59-70,124-125H,5-15,18-26,37-45,47-49,91-93H2,1-2H3,(H,111,129)(H,112,134)(H,113,128)(H,114,130)(H,115,131)(H,116,135)(H,117,136)(H,118,132)(H,119,126)(H,120,127)(H,121,133)(H,122,137)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t50-,51-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-/m0/s1

InChIKey

YAJDXSJLKNEFSA-VZMVFALLSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204828