Ac-(c50a-rantes 49 58)-nh2

Structural Information

Molecular Formula

C₅₅H₈₇N₁₅O₁₄

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[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C55H87N15O14/c1-28(2)44(46(59)75)69-52(81)39(25-33-27-60-35-16-9-8-15-34(33)35)67-50(79)37(18-11-13-23-57)64-49(78)36(17-10-12-22-56)65-51(80)38(20-21-43(73)74)66-53(82)41-19-14-24-70(41)55(84)40(26-42(58)72)68-48(77)31(6)61-47(76)30(5)62-54(83)45(29(3)4)63-32(7)71/h8-9,15-16,27-31,36-41,44-45,60H,10-14,17-26,56-57H2,1-7H3,(H2,58,72)(H2,59,75)(H,61,76)(H,62,83)(H,63,71)(H,64,78)(H,65,80)(H,66,82)(H,67,79)(H,68,77)(H,69,81)(H,73,74)/t30-,31-,36-,37-,38-,39-,40-,41-,44-,45-/m0/s1

InChIKey

UVQIVZDHYZSYMG-GCBVITCMSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 505365