Hagpiapgqmreprg

Structural Information

Molecular Formula

C₆₆H₁₀₈N₂₄O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C66H108N24O19S/c1-6-34(2)52(87-61(106)45-15-9-24-88(45)49(93)31-77-53(98)35(3)80-54(99)38(67)28-37-29-73-33-79-37)62(107)81-36(4)63(108)89-25-10-14-44(89)59(104)76-30-48(92)82-41(17-19-47(68)91)57(102)84-42(21-27-110-5)58(103)83-40(13-8-23-75-66(71)72)56(101)86-43(18-20-50(94)95)64(109)90-26-11-16-46(90)60(105)85-39(12-7-22-74-65(69)70)55(100)78-32-51(96)97/h29,33-36,38-46,52H,6-28,30-32,67H2,1-5H3,(H2,68,91)(H,73,79)(H,76,104)(H,77,98)(H,78,100)(H,80,99)(H,81,107)(H,82,92)(H,83,103)(H,84,102)(H,85,105)(H,86,101)(H,87,106)(H,94,95)(H,96,97)(H4,69,70,74)(H4,71,72,75)/t34-,35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-/m0/s1

InChIKey

OIAMNEBINSJKBD-UAJVRZNWSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(2S)-2-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Related CIDs

• CID 25075849