Kgatyityvnflnelrvktkpegn

Structural Information

Molecular Formula

C₁₂₅H₁₉₉N₃₃O₃₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C125H199N33O37/c1-15-65(10)99(154-115(185)85(55-72-36-40-74(163)41-37-72)150-121(191)100(67(12)159)155-103(173)66(11)138-93(167)59-136-104(174)75(129)29-19-22-46-126)119(189)157-102(69(14)161)122(192)149-84(54-71-34-38-73(162)39-35-71)114(184)153-98(64(8)9)118(188)151-87(57-91(131)165)113(183)147-83(53-70-27-17-16-18-28-70)111(181)146-82(52-62(4)5)110(180)148-86(56-90(130)164)112(182)141-79(43-45-96(171)172)106(176)145-81(51-61(2)3)109(179)140-77(32-25-49-135-125(133)134)107(177)152-97(63(6)7)117(187)143-76(30-20-23-47-127)108(178)156-101(68(13)160)120(190)144-80(31-21-24-48-128)123(193)158-50-26-33-89(158)116(186)142-78(42-44-95(169)170)105(175)137-60-94(168)139-88(124(194)195)58-92(132)166/h16-18,27-28,34-41,61-69,75-89,97-102,159-163H,15,19-26,29-33,42-60,126-129H2,1-14H3,(H2,130,164)(H2,131,165)(H2,132,166)(H,136,174)(H,137,175)(H,138,167)(H,139,168)(H,140,179)(H,141,182)(H,142,186)(H,143,187)(H,144,190)(H,145,176)(H,146,181)(H,147,183)(H,148,180)(H,149,192)(H,150,191)(H,151,188)(H,152,177)(H,153,184)(H,154,185)(H,155,173)(H,156,178)(H,157,189)(H,169,170)(H,171,172)(H,194,195)(H4,133,134,135)/t65-,66-,67+,68+,69+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-,98-,99-,100-,101-,102-/m0/s1

InChIKey

GSQGPHVTBOWTAB-OYWARWSASA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130219