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

Structural Information

Molecular Formula

C₆₃H₉₆N₂₂O₁₃S₂

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)CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCNC(=O)N

InChI

InChI=1S/C63H96N22O13S2/c64-24-4-3-12-44-58(95)85-29-9-17-49(85)57(94)79-43(15-7-28-76-63(72)98)53(90)83-47(55(92)81-45(59(96)97)16-8-27-75-62(70)71)33-99-100-34-48(56(93)82-46(54(91)80-44)32-35-19-22-39(86)23-20-35)84-52(89)42(14-6-26-74-61(68)69)78-51(88)41(13-5-25-73-60(66)67)77-50(87)40(65)31-36-18-21-37-10-1-2-11-38(37)30-36/h1-2,10-11,18-23,30,40-49,86H,3-9,12-17,24-29,31-34,64-65H2,(H,77,87)(H,78,88)(H,79,94)(H,80,91)(H,81,92)(H,82,93)(H,83,90)(H,84,89)(H,96,97)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)(H3,72,76,98)/t40-,41-,42-,43-,44+,45-,46-,47-,48-,49-/m0/s1

InChIKey

KJCPEDXAZXKFFK-GDEIRBAESA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3-(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-(carbamoylamino)propyl]-6-[(4-hydroxyphenyl)methyl]-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 25080226