Ac-(c50a-rantes 41 50)-nh2

Structural Information

Molecular Formula

C₅₅H₉₄N₂₀O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C)O

InChI

InChI=1S/C55H94N20O14/c1-27(2)41(51(87)66-29(5)44(59)80)73-48(84)36(20-21-39(57)78)70-45(81)34(18-13-23-64-54(60)61)69-49(85)38(26-40(58)79)72-47(83)33(17-11-12-22-56)68-46(82)35(19-14-24-65-55(62)63)71-53(89)43(30(6)76)75-52(88)42(28(3)4)74-50(86)37(67-31(7)77)25-32-15-9-8-10-16-32/h8-10,15-16,27-30,33-38,41-43,76H,11-14,17-26,56H2,1-7H3,(H2,57,78)(H2,58,79)(H2,59,80)(H,66,87)(H,67,77)(H,68,82)(H,69,85)(H,70,81)(H,71,89)(H,72,83)(H,73,84)(H,74,86)(H,75,88)(H4,60,61,64)(H4,62,63,65)/t29-,30+,33-,34-,35-,36-,37-,38-,41-,42-,43-/m0/s1

InChIKey

HUKOCCFZUJUGPD-VGTVALJESA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide

Related CIDs

• CID 505363