Hl-9

Structural Information

Molecular Formula

C₅₅H₈₃N₂₁O₁₁

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C55H83N21O11/c1-27(2)43(76-50(84)40(23-31-26-68-36-16-8-6-13-33(31)36)74-44(78)28(3)69-46(80)34(56)14-9-19-64-53(58)59)51(85)70-29(4)45(79)73-39(22-30-25-67-35-15-7-5-12-32(30)35)48(82)71-37(17-10-20-65-54(60)61)47(81)75-41(24-42(57)77)49(83)72-38(52(86)87)18-11-21-66-55(62)63/h5-8,12-13,15-16,25-29,34,37-41,43,67-68H,9-11,14,17-24,56H2,1-4H3,(H2,57,77)(H,69,80)(H,70,85)(H,71,82)(H,72,83)(H,73,79)(H,74,78)(H,75,81)(H,76,84)(H,86,87)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t28-,29-,34-,37-,38-,39-,40-,41-,43-/m0/s1

InChIKey

WZPAHRVGUXGSFK-YJZJKGEDSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 5480724