Cfpyitrpgtyhdy-(1nal)-y-(orn)

Structural Information

Molecular Formula

C₁₀₈H₁₃₉N₂₃O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=CC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C108H139N23O26S/c1-5-58(2)89(128-99(148)80(49-65-32-40-72(137)41-33-65)124-101(150)86-25-15-45-131(86)106(155)84(126-92(141)74(110)56-158)50-61-16-7-6-8-17-61)102(151)129-91(60(4)133)104(153)117-75(23-13-43-114-108(111)112)105(154)130-44-14-24-85(130)100(149)115-55-87(138)127-90(59(3)132)103(152)125-79(48-64-30-38-71(136)39-31-64)95(144)122-82(52-68-54-113-57-116-68)97(146)123-83(53-88(139)140)98(147)120-78(47-63-28-36-70(135)37-29-63)94(143)121-81(51-67-20-11-19-66-18-9-10-21-73(66)67)96(145)119-77(46-62-26-34-69(134)35-27-62)93(142)118-76(107(156)157)22-12-42-109/h6-11,16-21,26-41,54,57-60,74-86,89-91,132-137,158H,5,12-15,22-25,42-53,55-56,109-110H2,1-4H3,(H,113,116)(H,115,149)(H,117,153)(H,118,142)(H,119,145)(H,120,147)(H,121,143)(H,122,144)(H,123,146)(H,124,150)(H,125,152)(H,126,141)(H,127,138)(H,128,148)(H,129,151)(H,139,140)(H,156,157)(H4,111,112,114)/t58-,59+,60+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-,91-/m0/s1

InChIKey

ATTPDKLWQAGDTP-GPDFYMGSSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoic acid

Related CIDs

• CID 71597883