Chembl427057

Structural Information

Molecular Formula

C₆₅H₁₀₄N₁₈O₁₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)N)O

InChI

InChI=1S/C65H104N18O14/c1-34(2)26-47(59(92)74-37(7)55(88)73-32-52(86)76-44(23-17-25-71-65(69)70)57(90)78-46(54(68)87)30-41-31-72-43-21-14-13-20-42(41)43)79-58(91)45(22-15-16-24-66)77-60(93)48(27-35(3)4)80-61(94)49(28-36(5)6)81-62(95)50(29-40-18-11-10-12-19-40)82-63(96)51(33-84)83-56(89)38(8)75-64(97)53(67)39(9)85/h10-14,18-21,31,34-39,44-51,53,72,84-85H,15-17,22-30,32-33,66-67H2,1-9H3,(H2,68,87)(H,73,88)(H,74,92)(H,75,97)(H,76,86)(H,77,93)(H,78,90)(H,79,91)(H,80,94)(H,81,95)(H,82,96)(H,83,89)(H4,69,70,71)/t37-,38-,39+,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1

InChIKey

FESCLBTUZYCTNE-GCLOHGRDSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 11845756