Chembl409411

Structural Information

Molecular Formula

C₅₆H₈₃N₁₅O₁₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C56H83N15O15/c1-26(2)43(69-55(85)45(31(7)75)71-56(86)44(30(6)74)70-49(79)36(58)24-72)54(84)65-39(18-12-13-19-57)50(80)64-28(4)47(77)63-29(5)48(78)68-42(25-73)53(83)67-41(21-33-23-61-38-17-11-9-15-35(33)38)52(82)66-40(51(81)62-27(3)46(59)76)20-32-22-60-37-16-10-8-14-34(32)37/h8-11,14-17,22-23,26-31,36,39-45,60-61,72-75H,12-13,18-21,24-25,57-58H2,1-7H3,(H2,59,76)(H,62,81)(H,63,77)(H,64,80)(H,65,84)(H,66,82)(H,67,83)(H,68,78)(H,69,85)(H,70,79)(H,71,86)/t27-,28-,29-,30+,31+,36-,39-,40-,41-,42-,43-,44-,45-/m0/s1

InChIKey

JWBRFNUQGHRLHZ-OBAVFZHQSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 5495643