Elrvktpegnshgipslrk

Structural Information

Molecular Formula

C₉₇H₁₆₈N₃₂O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C97H168N32O29/c1-10-52(8)76(94(156)129-38-20-27-69(129)90(152)124-67(47-131)88(150)121-63(40-50(4)5)85(147)114-57(24-17-35-108-96(103)104)81(143)119-61(95(157)158)23-13-16-34-100)125-72(135)45-111-80(142)64(41-54-43-107-48-112-54)122-87(149)66(46-130)123-86(148)65(42-70(102)133)113-71(134)44-110-79(141)59(29-31-74(138)139)116-89(151)68-26-19-37-128(68)93(155)60(22-12-15-33-99)118-92(154)77(53(9)132)127-83(145)56(21-11-14-32-98)117-91(153)75(51(6)7)126-82(144)58(25-18-36-109-97(105)106)115-84(146)62(39-49(2)3)120-78(140)55(101)28-30-73(136)137/h43,48-53,55-69,75-77,130-132H,10-42,44-47,98-101H2,1-9H3,(H2,102,133)(H,107,112)(H,110,141)(H,111,142)(H,113,134)(H,114,147)(H,115,146)(H,116,151)(H,117,153)(H,118,154)(H,119,143)(H,120,140)(H,121,150)(H,122,149)(H,123,148)(H,124,152)(H,125,135)(H,126,144)(H,127,145)(H,136,137)(H,138,139)(H,157,158)(H4,103,104,108)(H4,105,106,109)/t52-,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/m0/s1

InChIKey

RZWYNLVHOXYDDU-YPSGEVKJSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130222