(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-[[(3s)-3-[[(1r)-1-[[(3r)-3-amino-4-methyl-pentanoyl]amino]-2-methyl-propyl]carbamoylamino]-6-guanidino-hexanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propyl]carbamoylamino]-6-guanidino-hexanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propyl]carbamoylamino]-6-guanidino-hexanamide

Structural Information

Molecular Formula

C₅₄H₁₀₈N₂₂O₉

SMILES

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

InChI

InChI=1S/C54H108N22O9/c1-28(2)37(55)25-43(80)71-46(31(7)8)74-53(84)67-35(17-14-20-64-50(59)60)23-41(78)70-39(30(5)6)27-45(82)73-48(33(11)12)76-54(85)68-36(18-15-21-65-51(61)62)24-42(79)69-38(29(3)4)26-44(81)72-47(32(9)10)75-52(83)66-34(22-40(56)77)16-13-19-63-49(57)58/h28-39,46-48H,13-27,55H2,1-12H3,(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)/t34-,35-,36-,37+,38+,39+,46+,47+,48+/m0/s1

InChIKey

UVFFHFVRLPCEOY-KIJZPTHVSA-N

Compound name

(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-[[(3S)-3-[[(1R)-1-[[(3R)-3-amino-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]carbamoylamino]-6-(diaminomethylideneamino)hexanamide

Related CIDs

• CID 129905050