Nh2-arg-arg-nal--arg-cys(x1)-tyr-d-lys-pro-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₆₃H₉₆N₂₂O₁₃S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCNC(=O)N

InChI

InChI=1S/C63H96N22O13S2/c64-24-4-3-13-43-58(95)85-29-9-17-49(85)57(94)78-42(15-7-28-76-63(72)98)52(89)83-47(55(92)80-44(59(96)97)16-8-27-75-62(70)71)33-99-100-34-48(56(93)82-45(53(90)79-43)31-35-19-22-39(86)23-20-35)84-54(91)46(32-36-18-21-37-10-1-2-11-38(37)30-36)81-51(88)41(14-6-26-74-61(68)69)77-50(87)40(65)12-5-25-73-60(66)67/h1-2,10-11,18-23,30,40-49,86H,3-9,12-17,24-29,31-34,64-65H2,(H,77,87)(H,78,94)(H,79,90)(H,80,92)(H,81,88)(H,82,93)(H,83,89)(H,84,91)(H,96,97)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)(H3,72,76,98)/t40-,41-,42-,43+,44-,45-,46-,47-,48-,49-/m0/s1

InChIKey

HMHZTALEXIIREH-MGSLHMDNSA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3-(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-17-[3-(carbamoylamino)propyl]-6-[(4-hydroxyphenyl)methyl]-2,5,8,16,19-pentaoxo-11,12-dithia-1,4,7,15,18-pentazabicyclo[18.3.0]tricosane-14-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25080223