Chembl409617

Structural Information

Molecular Formula

C₄₅H₇₂N₁₄O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CN

InChI

InChI=1S/C45H72N14O16/c1-6-22(4)36(44(75)58-35(21(2)3)43(74)56-28(37(47)68)17-34(66)67)59-40(71)26(8-7-15-50-45(48)49)55-39(70)27(13-14-33(64)65)53-32(63)19-51-38(69)23(5)52-42(73)30(20-60)57-41(72)29(54-31(62)18-46)16-24-9-11-25(61)12-10-24/h9-12,21-23,26-30,35-36,60-61H,6-8,13-20,46H2,1-5H3,(H2,47,68)(H,51,69)(H,52,73)(H,53,63)(H,54,62)(H,55,70)(H,56,74)(H,57,72)(H,58,75)(H,59,71)(H,64,65)(H,66,67)(H4,48,49,50)/t22-,23-,26-,27-,28-,29-,30-,35-,36-/m0/s1

InChIKey

DUYWYWZZDCFGRB-NVTQKYALSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 11847435