Chembl2391146

Structural Information

Molecular Formula

C₄₃H₆₅N₁₃O₁₂

SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C43H65N13O12/c1-21(2)33(54-36(61)28(8-6-14-48-43(45)46)51-35(60)27(44)18-32(58)59)39(64)52-29(16-24-10-12-26(57)13-11-24)37(62)55-34(22(3)4)40(65)53-30(17-25-19-47-20-49-25)41(66)56-15-7-9-31(56)38(63)50-23(5)42(67)68/h10-13,19-23,27-31,33-34,57H,6-9,14-18,44H2,1-5H3,(H,47,49)(H,50,63)(H,51,60)(H,52,64)(H,53,65)(H,54,61)(H,55,62)(H,58,59)(H,67,68)(H4,45,46,48)/t23-,27-,28-,29-,30-,31-,33-,34-/m0/s1

InChIKey

JSQIKKVBLLHQSQ-AWJAZODESA-N

Compound name

(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 15171724