292141-31-2

Structural Information

Molecular Formula

C₄₈H₅₉ClN₁₂O₈

SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCNCC(=N)N)NC(=O)CNC(=O)[C@@H](CC2=CC=CC=N2)NC(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)C

InChI

InChI=1S/C48H59ClN12O8/c1-28(43(52)64)56-47(68)40-11-7-21-61(40)48(69)36(18-20-53-26-41(50)51)58-42(63)27-55-44(65)39(25-35-10-5-6-19-54-35)60-46(67)38(23-30-13-16-34(49)17-14-30)59-45(66)37(57-29(2)62)24-31-12-15-32-8-3-4-9-33(32)22-31/h3-6,8-10,12-17,19,22,28,36-40,53H,7,11,18,20-21,23-27H2,1-2H3,(H3,50,51)(H2,52,64)(H,55,65)(H,56,68)(H,57,62)(H,58,63)(H,59,66)(H,60,67)/t28-,36+,37-,38-,39-,40+/m1/s1

InChIKey

SQZFZTQLQWMIJU-IHTBXIBASA-N

Compound name

(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-2-ylpropanoyl]amino]acetyl]amino]-4-[(2-amino-2-iminoethyl)amino]butanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 124224312