Ac-(c50a-rantes 45 54)-nh2

Structural Information

Molecular Formula

C₄₈H₈₂N₁₈O₁₆

SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)C

InChI

InChI=1S/C48H82N18O16/c1-22(2)37(46(81)58-23(3)39(74)57-24(4)40(75)64-31(21-35(52)70)47(82)66-19-9-12-32(66)45(80)60-26(38(53)73)14-16-36(71)72)65-43(78)29(13-15-33(50)68)62-42(77)28(11-8-18-56-48(54)55)61-44(79)30(20-34(51)69)63-41(76)27(59-25(5)67)10-6-7-17-49/h22-24,26-32,37H,6-21,49H2,1-5H3,(H2,50,68)(H2,51,69)(H2,52,70)(H2,53,73)(H,57,74)(H,58,81)(H,59,67)(H,60,80)(H,61,79)(H,62,77)(H,63,76)(H,64,75)(H,65,78)(H,71,72)(H4,54,55,56)/t23-,24-,26-,27-,28-,29-,30-,31-,32-,37-/m0/s1

InChIKey

UQZDQZCHOMOLCA-DQYLPNIMSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 5495642