Re-e1p47

Structural Information

Molecular Formula

C₁₂₂H₁₆₈N₂₆O₂₃

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N5CCC[C@@H]5C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC8=CC=C(C=C8)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](CC9=CNC1=CC=CC=C19)C(=O)N)N

InChI

InChI=1S/C122H168N26O23/c1-13-70(11)101(124)117(167)146-102(68(7)8)118(168)132-65-98(150)133-85(42-29-51-128-122(126)127)106(156)141-94(60-77-64-131-84-40-26-23-37-81(77)84)113(163)140-91(55-72-31-17-15-18-32-72)111(161)143-95(61-100(153)154)114(164)144-96(57-73-33-19-16-20-34-73)121(171)148-52-30-43-97(148)116(166)145-103(69(9)10)119(169)135-86(41-27-28-50-123)107(157)142-93(59-76-63-130-83-39-25-22-36-80(76)83)112(162)138-89(53-66(3)4)109(159)139-92(56-74-44-46-78(149)47-45-74)110(160)134-87(48-49-99(151)152)108(158)137-90(54-67(5)6)115(165)147-104(71(12)14-2)120(170)136-88(105(125)155)58-75-62-129-82-38-24-21-35-79(75)82/h15-26,31-40,44-47,62-64,66-71,85-97,101-104,129-131,149H,13-14,27-30,41-43,48-61,65,123-124H2,1-12H3,(H2,125,155)(H,132,168)(H,133,150)(H,134,160)(H,135,169)(H,136,170)(H,137,158)(H,138,162)(H,139,159)(H,140,163)(H,141,156)(H,142,157)(H,143,161)(H,144,164)(H,145,166)(H,146,167)(H,147,165)(H,151,152)(H,153,154)(H4,126,127,128)/t70-,71-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94?,95-,96-,97-,101-,102-,103-,104-/m1/s1

InChIKey

QWAZREWDBBPSFN-IYJDGFOWSA-N

Compound name

(4R)-4-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3R)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 176457266