Chembl263839

Structural Information

Molecular Formula

C₈₀H₁₀₄ClN₁₅O₁₄

SMILES

C[C@@H](C(=O)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCC(C(C)C)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC(C(=O)C2=CC=NC=C2)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CC4=CN=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

InChI

InChI=1S/C80H104ClN15O14/c1-46(2)38-63(73(103)90-62(20-10-17-59(82)47(3)4)80(110)96-37-13-21-68(96)77(107)87-48(5)71(84)101)91-72(102)61(19-11-18-60(83)70(100)55-32-35-85-36-33-55)89-78(108)69(43-51-25-30-58(99)31-26-51)95(7)79(109)67(45-97)94-76(106)66(42-53-14-12-34-86-44-53)93-75(105)65(40-50-23-28-57(81)29-24-50)92-74(104)64(88-49(6)98)41-52-22-27-54-15-8-9-16-56(54)39-52/h8-9,12,14-16,22-36,39,44,46-48,59-69,97,99H,10-11,13,17-21,37-38,40-43,45,82-83H2,1-7H3,(H2,84,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106)/t48-,59?,60?,61-,62-,63-,64-,65-,66-,67-,68+,69-/m0/s1

InChIKey

WGWPBHBZVYAVTQ-HQDLIPOVSA-N

Compound name

(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-7-oxo-7-pyridin-4-ylheptanoyl]amino]-4-methylpentanoyl]amino]-6-amino-7-methyloctanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 44383749