Chembl429024

Structural Information

Molecular Formula

C₅₃H₇₆N₁₄O₁₅

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C53H76N14O15/c1-3-28(2)44(65-43(73)26-59-46(75)32(54)23-29-9-5-4-6-10-29)53(82)67-22-8-12-39(67)51(80)62-35(24-30-13-15-31(69)16-14-30)48(77)63-36(25-42(57)72)52(81)66-21-7-11-38(66)50(79)61-34(18-20-41(56)71)47(76)64-37(27-68)49(78)60-33(45(58)74)17-19-40(55)70/h4-6,9-10,13-16,28,32-39,44,68-69H,3,7-8,11-12,17-27,54H2,1-2H3,(H2,55,70)(H2,56,71)(H2,57,72)(H2,58,74)(H,59,75)(H,60,78)(H,61,79)(H,62,80)(H,63,77)(H,64,76)(H,65,73)/t28-,32-,33-,34-,35-,36-,37-,38-,39-,44-/m0/s1

InChIKey

KRCSNJXLYMNXDE-UKBGRRHGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]pentanediamide

Related CIDs

• CID 11847115