Desglugastrin

Structural Information

Molecular Formula

C₄₉H₆₁N₉O₁₃

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C49H61N9O13/c1-27(2)20-36(47(69)58-39(24-43(64)65)49(71)55-35(44(50)66)21-29-10-5-4-6-11-29)57-48(70)38(23-31-25-51-34-13-8-7-12-33(31)34)54-41(61)26-52-46(68)37(22-30-16-18-32(59)19-17-30)56-45(67)28(3)53-40(60)14-9-15-42(62)63/h4-8,10-13,16-19,25,27-28,35-39,51,59H,9,14-15,20-24,26H2,1-3H3,(H2,50,66)(H,52,68)(H,53,60)(H,54,61)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,62,63)(H,64,65)/t28-,35-,36-,37-,38-,39-/m0/s1

InChIKey

BRUVESZIOCJLDB-GJPUTSFASA-N

Compound name

5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 68687