(3r)-3-amino-n-[(1r)-1-[[(3s)-1-[[(3r)-1-[[(1r)-1-[[(3s)-1-[[(3r)-1-[[(1r)-1-[[(3s)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]amino]-4-methyl-1-oxohexan-3-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]amino]-4-methyl-1-oxohexan-3-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]-4-methylhexanamide

Structural Information

Molecular Formula

C₅₄H₁₀₈N₂₂O₉

SMILES

CC[C@H](NC(=O)C[C@H](C(C)CC)N)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N[C@H](CC(=O)N[C@@H](CC)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N[C@H](CC(=O)N[C@@H](CC)NC(=O)N[C@@H](CCCN=C(N)N)CC(=O)N)C(C)CC)C(C)CC

InChI

InChI=1S/C54H108N22O9/c1-10-31(7)37(55)28-46(80)71-41(13-4)74-53(84)67-35(20-17-23-64-50(59)60)26-44(78)70-39(33(9)12-3)30-48(82)73-43(15-6)76-54(85)68-36(21-18-24-65-51(61)62)27-45(79)69-38(32(8)11-2)29-47(81)72-42(14-5)75-52(83)66-34(25-40(56)77)19-16-22-63-49(57)58/h31-39,41-43H,10-30,55H2,1-9H3,(H2,56,77)(H,69,79)(H,70,78)(H,71,80)(H,72,81)(H,73,82)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)(H2,66,75,83)(H2,67,74,84)(H2,68,76,85)/t31?,32?,33?,34-,35-,36-,37+,38+,39+,41+,42+,43+/m0/s1

InChIKey

XVEFFQDBHWCOHW-SRTHWREWSA-N

Compound name

(3R)-3-amino-N-[(1R)-1-[[(3S)-1-[[(3R)-1-[[(1R)-1-[[(3S)-1-[[(3R)-1-[[(1R)-1-[[(3S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]amino]-4-methyl-1-oxohexan-3-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]amino]-4-methyl-1-oxohexan-3-yl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoylamino]propyl]-4-methylhexanamide

Related CIDs

• CID 129904831