[nh2-arg-arg-nal-cys(x1)-tyr-nh2]2

Structural Information

Molecular Formula

C₇₄H₁₀₂N₂₄O₁₂S₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)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](CC6=CC=C(C=C6)O)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C74H102N24O12S2/c75-51(13-5-29-87-71(79)80)63(103)91-53(15-7-31-89-73(83)84)65(105)95-57(37-43-17-23-45-9-1-3-11-47(45)33-43)67(107)97-59(69(109)93-55(61(77)101)35-41-19-25-49(99)26-20-41)39-111-112-40-60(70(110)94-56(62(78)102)36-42-21-27-50(100)28-22-42)98-68(108)58(38-44-18-24-46-10-2-4-12-48(46)34-44)96-66(106)54(16-8-32-90-74(85)86)92-64(104)52(76)14-6-30-88-72(81)82/h1-4,9-12,17-28,33-34,51-60,99-100H,5-8,13-16,29-32,35-40,75-76H2,(H2,77,101)(H2,78,102)(H,91,103)(H,92,104)(H,93,109)(H,94,110)(H,95,105)(H,96,106)(H,97,107)(H,98,108)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

XWSCWVATXIXWOX-ZJQPJSICSA-N

Compound name

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-3-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-5-carbamimidamidopentanamide

Related CIDs

• CID 16204830