Nh2-arg-nal-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](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/C60H100N24O11S2/c61-23-5-3-15-38-48(86)79-41(16-4-6-24-62)55(93)84-29-11-20-46(84)54(92)78-40(18-9-27-74-59(68)69)50(88)83-45(53(91)80-42(56(94)95)19-10-28-75-60(70)71)33-97-96-32-44(52(90)77-38)82-49(87)39(17-8-26-73-58(66)67)76-51(89)43(81-47(85)37(63)14-7-25-72-57(64)65)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,76,89)(H,77,90)(H,78,92)(H,79,86)(H,80,91)(H,81,85)(H,82,87)(H,83,88)(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

VFYMSIJWKBMAKC-CCMOKRMDSA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3,6-bis(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]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 511253
• CID 511254