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

Structural Information

Molecular Formula

C₆₀H₁₀₀N₂₆O₁₁S₂

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](CCCN=C(N)N)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCN=C(N)N

InChI

InChI=1S/C60H100N26O11S2/c61-22-4-3-14-40-54(95)86-28-10-19-45(86)53(94)80-39(17-8-26-76-59(69)70)49(90)85-44(52(93)82-41(55(96)97)18-9-27-77-60(71)72)32-99-98-31-43(51(92)79-37(47(88)81-40)15-6-24-74-57(65)66)84-48(89)38(16-7-25-75-58(67)68)78-50(91)42(83-46(87)36(62)13-5-23-73-56(63)64)30-33-20-21-34-11-1-2-12-35(34)29-33/h1-2,11-12,20-21,29,36-45H,3-10,13-19,22-28,30-32,61-62H2,(H,78,91)(H,79,92)(H,80,94)(H,81,88)(H,82,93)(H,83,87)(H,84,89)(H,85,90)(H,96,97)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t36-,37-,38-,39-,40+,41-,42-,43-,44-,45-/m0/s1

InChIKey

MTPPLYSFHPACMX-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]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6,17-bis[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 25080232
• CID 25080233