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

Structural Information

Molecular Formula

C₆₀H₉₉N₂₃O₁₂S₂

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](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/C60H99N23O12S2/c61-23-5-3-15-38-48(85)78-41(16-4-6-24-62)55(92)83-29-11-20-46(83)54(91)77-40(18-9-28-74-60(70)95)50(87)81-45(53(90)79-42(56(93)94)19-10-27-73-59(68)69)33-97-96-32-44(52(89)76-38)82-51(88)43(31-34-21-22-35-12-1-2-13-36(35)30-34)80-49(86)39(17-8-26-72-58(66)67)75-47(84)37(63)14-7-25-71-57(64)65/h1-2,12-13,21-22,30,37-46H,3-11,14-20,23-29,31-33,61-63H2,(H,75,84)(H,76,89)(H,77,91)(H,78,85)(H,79,90)(H,80,86)(H,81,87)(H,82,88)(H,93,94)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)(H3,70,74,95)/t37-,38-,39-,40-,41+,42-,43-,44-,45-,46-/m0/s1

InChIKey

YLGARJCWQSWLPP-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]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-17-[3-(carbamoylamino)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 511248