Gp41 sequence cs3

Structural Information

Molecular Formula

C₉₅H₁₆₂N₂₈O₂₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)N

InChI

InChI=1S/C95H162N28O27S/c1-15-50(12)75(123-85(141)58(22-19-37-106-95(103)104)109-76(132)51(13)107-79(135)59(27-31-69(98)125)113-87(143)64(39-46(4)5)116-78(134)55(97)44-151)92(148)120-63(38-45(2)3)86(142)108-52(14)77(133)122-74(49(10)11)91(147)115-62(30-34-72(128)129)83(139)110-57(21-18-36-105-94(101)102)81(137)118-66(42-53-23-25-54(124)26-24-53)89(145)117-65(40-47(6)7)88(144)111-56(20-16-17-35-96)80(136)119-67(43-73(130)131)90(146)114-60(28-32-70(99)126)82(138)112-61(29-33-71(100)127)84(140)121-68(93(149)150)41-48(8)9/h23-26,45-52,55-68,74-75,124,151H,15-22,27-44,96-97H2,1-14H3,(H2,98,125)(H2,99,126)(H2,100,127)(H,107,135)(H,108,142)(H,109,132)(H,110,139)(H,111,144)(H,112,138)(H,113,143)(H,114,146)(H,115,147)(H,116,134)(H,117,145)(H,118,137)(H,119,136)(H,120,148)(H,121,140)(H,122,133)(H,123,141)(H,128,129)(H,130,131)(H,149,150)(H4,101,102,105)(H4,103,104,106)/t50-,51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-/m0/s1

InChIKey

XNUZDBGRWFRZKD-GOXWOFCWSA-N

Compound name

(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16197315