H-arg-arg-bphe-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₉₃H₁₄₃N₃₃O₁₉S₂

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)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)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)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C93H143N33O19S2/c94-38-6-4-18-60-77(133)119-65(19-5-7-39-95)86(142)126-46-14-25-72(126)85(141)123-69(49-54-30-36-58(128)37-31-54)81(137)118-63(22-11-43-111-91(103)104)76(132)116-64(23-12-45-113-93(107)145)79(135)124-70(83(139)120-66(87(143)144)24-13-44-112-92(105)106)50-146-147-51-71(84(140)122-67(48-53-28-34-57(127)35-29-53)80(136)117-62(75(131)115-60)21-10-42-110-90(101)102)125-82(138)68(47-52-26-32-56(33-27-52)73(129)55-15-2-1-3-16-55)121-78(134)61(20-9-41-109-89(99)100)114-74(130)59(96)17-8-40-108-88(97)98/h1-3,15-16,26-37,59-72,127-128H,4-14,17-25,38-51,94-96H2,(H,114,130)(H,115,131)(H,116,132)(H,117,136)(H,118,137)(H,119,133)(H,120,139)(H,121,134)(H,122,140)(H,123,141)(H,124,135)(H,125,138)(H,143,144)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H3,107,113,145)/t59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

YPYXQOWMHUNNPN-DTBIXRLSSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(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]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204784