Chembl413690

Structural Information

Molecular Formula

C₅₀H₈₆N₁₈O₁₆

SMILES

C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C50H86N18O16/c1-23(2)18-32(46(81)62-28(10-7-8-16-51)45(80)68-39(26(6)69)40(54)75)65-47(82)33(19-27-21-57-22-59-27)66-44(79)31(13-15-36(71)72)61-41(76)25(5)60-42(77)30(12-14-35(52)70)63-48(83)34(20-37(73)74)67-43(78)29(11-9-17-58-50(55)56)64-49(84)38(53)24(3)4/h21-26,28-34,38-39,69H,7-20,51,53H2,1-6H3,(H2,52,70)(H2,54,75)(H,57,59)(H,60,77)(H,61,76)(H,62,81)(H,63,83)(H,64,84)(H,65,82)(H,66,79)(H,67,78)(H,68,80)(H,71,72)(H,73,74)(H4,55,56,58)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,38-,39-/m0/s1

InChIKey

BENKCOTYSVWSLB-SYJQJPKQSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 11847268