Ac-pro-cys-asn-lys-cys-tyr-cys-lys-lys-cys-cys-tyr-his-cys-gln-met-cys-phe-ile-thr-oh

Structural Information

Molecular Formula

C₁₀₃H₁₅₇N₂₇O₂₇S₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@@H]5CCCN5C(=O)C

InChI

InChI=1S/C103H157N27O27S8/c1-6-53(2)82(102(155)129-83(54(3)131)103(156)157)128-93(146)69(39-56-17-8-7-9-18-56)118-97(150)75(48-161)123-88(141)66(33-38-165-5)115-87(140)65(31-32-80(107)135)114-95(148)73(46-159)125-91(144)70(42-59-44-109-52-110-59)119-89(142)67(40-57-23-27-60(133)28-24-57)116-98(151)76(49-162)126-100(153)77(50-163)122-85(138)63(20-11-14-35-105)111-84(137)62(19-10-13-34-104)113-94(147)72(45-158)124-90(143)68(41-58-25-29-61(134)30-26-58)117-96(149)74(47-160)121-86(139)64(21-12-15-36-106)112-92(145)71(43-81(108)136)120-99(152)78(51-164)127-101(154)79-22-16-37-130(79)55(4)132/h7-9,17-18,23-30,44,52-54,62-79,82-83,131,133-134,158-164H,6,10-16,19-22,31-43,45-51,104-106H2,1-5H3,(H2,107,135)(H2,108,136)(H,109,110)(H,111,137)(H,112,145)(H,113,147)(H,114,148)(H,115,140)(H,116,151)(H,117,149)(H,118,150)(H,119,142)(H,120,152)(H,121,139)(H,122,138)(H,123,141)(H,124,143)(H,125,144)(H,126,153)(H,127,154)(H,128,146)(H,129,155)(H,156,157)/t53-,54+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,82-,83-/m0/s1

InChIKey

DCFNBPPZUIGDRO-OBVOVVFUSA-N

Compound name

(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 16131520