Lgyqkrplpqvllsswyptsql

Structural Information

Molecular Formula

C₁₂₁H₁₈₈N₃₀O₃₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)CNC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C121H188N30O32/c1-61(2)48-74(123)100(162)131-57-97(161)132-83(53-68-29-33-71(156)34-30-68)107(169)134-77(37-40-94(124)158)102(164)133-76(24-16-17-43-122)101(163)137-80(25-18-44-129-121(127)128)117(179)149-45-19-27-92(149)113(175)142-85(51-64(7)8)118(180)150-46-20-26-91(150)112(174)136-79(39-42-96(126)160)104(166)147-98(66(11)12)115(177)140-82(50-63(5)6)105(167)138-81(49-62(3)4)106(168)144-89(59-153)111(173)145-88(58-152)110(172)139-84(55-70-56-130-75-23-15-14-22-73(70)75)108(170)141-86(54-69-31-35-72(157)36-32-69)119(181)151-47-21-28-93(151)114(176)148-99(67(13)155)116(178)146-90(60-154)109(171)135-78(38-41-95(125)159)103(165)143-87(120(182)183)52-65(9)10/h14-15,22-23,29-36,56,61-67,74,76-93,98-99,130,152-157H,16-21,24-28,37-55,57-60,122-123H2,1-13H3,(H2,124,158)(H2,125,159)(H2,126,160)(H,131,162)(H,132,161)(H,133,164)(H,134,169)(H,135,171)(H,136,174)(H,137,163)(H,138,167)(H,139,172)(H,140,177)(H,141,170)(H,142,175)(H,143,165)(H,144,168)(H,145,173)(H,146,178)(H,147,166)(H,148,176)(H,182,183)(H4,127,128,129)/t67-,74+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,98+,99+/m1/s1

InChIKey

GXXOZUJXJRNZHG-ABYVOCGLSA-N

Compound name

(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16130701