Lfcin b, bovine lactoferricin

Structural Information

Molecular Formula

C₁₂₂H₂₁₅N₃₉O₃₀S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C122H215N39O30S3/c1-19-64(10)91(114(186)149-77(40-31-50-136-121(130)131)101(173)141-69(15)97(169)159-93(118(190)191)66(12)21-3)158-111(183)85(59-192)154-105(177)79(43-44-89(165)166)147-108(180)82(55-62(6)7)150-95(167)68(14)142-107(179)83(56-72-34-23-22-24-35-72)151-96(168)67(13)140-100(172)76(39-30-49-135-120(128)129)146-103(175)78(41-32-51-137-122(132)133)148-113(185)90(63(8)9)156-110(182)86(60-193)155-116(188)94(71(17)163)160-115(187)92(65(11)20-2)157-109(181)84(58-162)153-112(184)87-42-33-52-161(87)117(189)70(16)139-88(164)57-138-99(171)81(54-61(4)5)152-104(176)75(38-26-28-47-124)144-102(174)74(37-25-27-46-123)145-106(178)80(45-53-194-18)143-98(170)73(125)36-29-48-134-119(126)127/h22-24,34-35,61-71,73-87,90-94,162-163,192-193H,19-21,25-33,36-60,123-125H2,1-18H3,(H,138,171)(H,139,164)(H,140,172)(H,141,173)(H,142,179)(H,143,170)(H,144,174)(H,145,178)(H,146,175)(H,147,180)(H,148,185)(H,149,186)(H,150,167)(H,151,168)(H,152,176)(H,153,184)(H,154,177)(H,155,188)(H,156,182)(H,157,181)(H,158,183)(H,159,169)(H,160,187)(H,165,166)(H,190,191)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t64-,65-,66-,67-,68-,69-,70-,71+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,90-,91-,92-,93-,94-/m0/s1

InChIKey

GQBMYPKIMVWVES-VSQYFDENSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131667
• CID 16131668