Varv e

Structural Information

Molecular Formula

C₁₁₇H₁₈₇N₃₅O₄₀S₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)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)NCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)CN

InChI

InChI=1S/C117H187N35O40S6/c1-13-53(8)88(146-106(181)77-25-19-29-150(77)113(188)64(32-50(2)3)130-80(161)36-118)109(184)139-69(44-193)93(168)126-40-82(163)129-62(26-27-85(166)167)95(170)147-91(56(11)157)112(187)142-73(48-197)102(177)144-86(51(4)5)107(182)128-38-81(162)125-39-84(165)143-89(54(9)155)110(185)141-72(47-196)100(175)133-63(34-78(119)159)96(171)149-92(57(12)158)115(190)152-31-17-23-75(152)104(179)127-41-83(164)131-70(45-194)99(174)136-68(43-154)98(173)138-71(46-195)101(176)137-67(42-153)97(172)134-65(33-58-37-124-60-21-15-14-20-59(58)60)114(189)151-30-18-24-76(151)105(180)145-87(52(6)7)108(183)140-74(49-198)103(178)148-90(55(10)156)111(186)132-61(22-16-28-123-117(121)122)94(169)135-66(116(191)192)35-79(120)160/h14-15,20-21,37,50-57,61-77,86-92,124,153-158,193-198H,13,16-19,22-36,38-49,118H2,1-12H3,(H2,119,159)(H2,120,160)(H,125,162)(H,126,168)(H,127,179)(H,128,182)(H,129,163)(H,130,161)(H,131,164)(H,132,186)(H,133,175)(H,134,172)(H,135,169)(H,136,174)(H,137,176)(H,138,173)(H,139,184)(H,140,183)(H,141,185)(H,142,187)(H,143,165)(H,144,177)(H,145,180)(H,146,181)(H,147,170)(H,148,178)(H,149,171)(H,166,167)(H,191,192)(H4,121,122,123)/t53-,54+,55+,56+,57+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,86-,87-,88-,89-,90-,91-,92-/m0/s1

InChIKey

BSNVHIXMDLRYHT-LYVJNYOLSA-N

Compound name

(4S)-4-[[2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-[[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[[2-[[2-[[(2S,3R)-1-[[(2R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49769499