Onilcamotide

Structural Information

Molecular Formula

C₉₆H₁₇₇N₃₉O₂₄S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C96H177N39O24S/c1-12-50(8)72(88(155)131-64(91(158)159)42-48(4)5)133-86(153)66-30-22-40-135(66)90(157)65(46-160)121-70(140)45-118-76(143)54(25-17-35-112-92(102)103)122-79(146)58(27-19-37-114-94(106)107)125-80(147)59(28-20-38-115-95(108)109)124-78(145)55(23-13-15-33-97)126-85(152)63(43-68(101)138)130-82(149)56(24-14-16-34-98)123-81(148)60(29-21-39-116-96(110)111)128-87(154)71(49(6)7)132-83(150)61(31-32-67(100)137)127-84(151)62(41-47(2)3)120-69(139)44-117-75(142)52(10)119-77(144)57(26-18-36-113-93(104)105)129-89(156)73(53(11)136)134-74(141)51(9)99/h47-66,71-73,136,160H,12-46,97-99H2,1-11H3,(H2,100,137)(H2,101,138)(H,117,142)(H,118,143)(H,119,144)(H,120,139)(H,121,140)(H,122,146)(H,123,148)(H,124,145)(H,125,147)(H,126,152)(H,127,151)(H,128,154)(H,129,156)(H,130,149)(H,131,155)(H,132,150)(H,133,153)(H,134,141)(H,158,159)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)/t50-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-/m0/s1

InChIKey

BSLDVUIBJUKAAR-GXARRZNISA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 155801574