Arg-arg-nal-cys-tyr-cit-lys-dglu-pro-glu-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₈₅H₁₃₄N₃₂O₂₁S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCC(=O)O)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)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)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CCC(=O)O

InChI

InChI=1S/C85H134N32O21S2/c86-32-4-3-15-52-70(127)112-58(29-31-65(121)122)79(136)117-39-11-21-63(117)78(135)111-57(28-30-64(119)120)73(130)109-54(18-8-36-102-83(95)96)68(125)108-56(20-10-38-104-85(98)138)72(129)115-61(76(133)105-51(66(88)123)16-6-34-100-81(91)92)43-139-140-44-62(77(134)114-59(41-45-23-26-49(118)27-24-45)74(131)110-55(69(126)107-52)19-9-37-103-84(97)137)116-75(132)60(42-46-22-25-47-12-1-2-13-48(47)40-46)113-71(128)53(17-7-35-101-82(93)94)106-67(124)50(87)14-5-33-99-80(89)90/h1-2,12-13,22-27,40,50-63,118H,3-11,14-21,28-39,41-44,86-87H2,(H2,88,123)(H,105,133)(H,106,124)(H,107,126)(H,108,125)(H,109,130)(H,110,131)(H,111,135)(H,112,127)(H,113,128)(H,114,134)(H,115,129)(H,116,132)(H,119,120)(H,121,122)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H3,97,103,137)(H3,98,104,138)/t50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1

InChIKey

BEWODBYPFNZJRS-XRDVBKCYSA-N

Compound name

3-[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-20-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3-(2-carboxyethyl)-12-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontan-29-yl]propanoic acid

Related CIDs

• CID 16131715