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

Structural Information

Molecular Formula

C₆₀H₉₉N₂₅O₁₂S₂

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)CCCN=C(N)N)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)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/C60H99N25O12S2/c61-22-4-3-14-40-54(94)85-28-10-19-45(85)53(93)79-39(17-8-27-76-60(71)97)49(89)83-44(52(92)81-41(55(95)96)18-9-26-75-59(69)70)32-99-98-31-43(51(91)78-38(47(87)80-40)16-7-25-74-58(67)68)84-50(90)42(30-33-20-21-34-11-1-2-12-35(34)29-33)82-48(88)37(15-6-24-73-57(65)66)77-46(86)36(62)13-5-23-72-56(63)64/h1-2,11-12,20-21,29,36-45H,3-10,13-19,22-28,30-32,61-62H2,(H,77,86)(H,78,91)(H,79,93)(H,80,87)(H,81,92)(H,82,88)(H,83,89)(H,84,90)(H,95,96)(H4,63,64,72)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)(H3,71,76,97)/t36-,37-,38-,39-,40+,41-,42-,43-,44-,45-/m0/s1

InChIKey

JDGGFZBGKRGYOD-ZBDSTUGFSA-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-[3-(diaminomethylideneamino)propyl]-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 25080235