Maculatin 1.1

Structural Information

Molecular Formula

C₁₀₃H₁₆₁N₂₇O₂₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C103H161N27O23/c1-20-58(14)84(102(152)116-62(18)88(138)119-69(36-37-79(133)134)92(142)123-74(44-66-47-107-50-110-66)96(146)120-70(85(106)135)42-64-30-23-21-24-31-64)129-90(140)63(19)114-98(148)76-35-29-39-130(76)103(153)83(57(12)13)128-101(151)82(56(10)11)127-97(147)75(45-67-48-108-51-111-67)121-89(139)60(16)112-86(136)59(15)115-99(149)81(55(8)9)126-93(143)68(34-27-28-38-104)118-87(137)61(17)113-94(144)72(41-53(4)5)124-100(150)80(54(6)7)125-78(132)49-109-91(141)73(43-65-32-25-22-26-33-65)122-95(145)71(40-52(2)3)117-77(131)46-105/h21-26,30-33,47-48,50-63,68-76,80-84H,20,27-29,34-46,49,104-105H2,1-19H3,(H2,106,135)(H,107,110)(H,108,111)(H,109,141)(H,112,136)(H,113,144)(H,114,148)(H,115,149)(H,116,152)(H,117,131)(H,118,137)(H,119,138)(H,120,146)(H,121,139)(H,122,145)(H,123,142)(H,124,150)(H,125,132)(H,126,143)(H,127,147)(H,128,151)(H,129,140)(H,133,134)/t58-,59-,60-,61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-,83-,84-/m0/s1

InChIKey

AUOXRFDIOFSPLP-YCNCQIEXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134112