N2-(benzoyl)-arg-arg-nal-cys-tyr-cit-lys-dlys-pro-tyr-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₉₆H₁₄₀N₃₂O₂₁S₂

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)NC(=O)C6=CC=CC=C6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O

InChI

InChI=1S/C96H140N32O21S2/c97-39-7-6-19-62-81(138)122-68(37-38-75(131)132)90(147)128-46-14-26-74(128)89(146)125-70(49-54-30-35-60(130)36-31-54)85(142)121-64(22-10-42-111-93(103)104)80(137)119-67(25-13-45-114-96(108)149)83(140)126-72(87(144)115-61(76(98)133)20-8-40-109-91(99)100)51-150-151-52-73(88(145)124-69(48-53-28-33-59(129)34-29-53)84(141)120-65(79(136)117-62)24-12-44-113-95(107)148)127-86(143)71(50-55-27-32-56-15-4-5-18-58(56)47-55)123-82(139)66(23-11-43-112-94(105)106)118-78(135)63(21-9-41-110-92(101)102)116-77(134)57-16-2-1-3-17-57/h1-5,15-18,27-36,47,61-74,129-130H,6-14,19-26,37-46,48-52,97H2,(H2,98,133)(H,115,144)(H,116,134)(H,117,136)(H,118,135)(H,119,137)(H,120,141)(H,121,142)(H,122,138)(H,123,139)(H,124,145)(H,125,146)(H,126,140)(H,127,143)(H,131,132)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H3,107,113,148)(H3,108,114,149)/t61-,62-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-/m0/s1

InChIKey

YYZJPDAWJWAOLV-OHRJVICWSA-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-benzamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[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]pentatriacontan-3-yl]propanoic acid

Related CIDs

• CID 16131692