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

Structural Information

Molecular Formula

C₆₀H₁₀₀N₂₄O₁₁S₂

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

InChI

InChI=1S/C60H100N24O11S2/c61-23-5-3-14-38-49(87)80-42(15-4-6-24-62)55(93)84-29-11-20-46(84)54(92)79-41(18-9-27-74-59(68)69)51(89)83-45(53(91)81-43(56(94)95)19-10-28-75-60(70)71)33-97-96-32-44(52(90)78-38)82-50(88)40(17-8-26-73-58(66)67)77-48(86)39(16-7-25-72-57(64)65)76-47(85)37(63)31-34-21-22-35-12-1-2-13-36(35)30-34/h1-2,12-13,21-22,30,37-46H,3-11,14-20,23-29,31-33,61-63H2,(H,76,85)(H,77,86)(H,78,90)(H,79,92)(H,80,87)(H,81,91)(H,82,88)(H,83,89)(H,94,95)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)/t37-,38-,39-,40-,41-,42+,43-,44-,45-,46-/m0/s1

InChIKey

FCTLKTHYEGEBMP-XDLCLKIKSA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3,6-bis(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-17-[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 511255