Bvdv

Structural Information

Molecular Formula

C₉₈H₁₆₈N₂₈O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C98H168N28O25/c1-15-55(13)79(96(149)123-71(44-75(103)130)90(143)112-60(27-23-37-108-98(105)106)81(134)109-47-76(131)111-65(38-50(3)4)85(138)113-62(25-18-21-35-100)83(136)116-64(97(150)151)26-19-22-36-101)125-84(137)63(32-33-74(102)129)115-82(135)61(24-17-20-34-99)114-89(142)70(43-58-46-107-49-110-58)119-86(139)66(39-51(5)6)118-93(146)73(48-127)124-88(141)69(42-57-28-30-59(128)31-29-57)122-95(148)80(56(14)16-2)126-92(145)68(41-53(9)10)117-91(144)72(45-77(132)133)120-87(140)67(40-52(7)8)121-94(147)78(104)54(11)12/h28-31,46,49-56,60-73,78-80,127-128H,15-27,32-45,47-48,99-101,104H2,1-14H3,(H2,102,129)(H2,103,130)(H,107,110)(H,109,134)(H,111,131)(H,112,143)(H,113,138)(H,114,142)(H,115,135)(H,116,136)(H,117,144)(H,118,146)(H,119,139)(H,120,140)(H,121,147)(H,122,148)(H,123,149)(H,124,141)(H,125,137)(H,126,145)(H,132,133)(H,150,151)(H4,105,106,108)/t55-,56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-,79-,80-/m0/s1

InChIKey

PPBOKXIGFIBOGK-BDTUAEFFSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71597907