Gbva3

Structural Information

Molecular Formula

C₁₂₂H₁₉₉N₃₅O₂₇S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C122H199N35O27S/c1-62(2)49-76(124)99(164)144-84(51-64(5)6)108(173)151-91(58-95(162)163)111(176)153-92(61-185)114(179)150-90(57-73-59-137-77-32-21-20-31-75(73)77)113(178)154-96(68(13)14)116(181)143-82(37-27-47-136-122(131)132)104(169)145-83(50-63(3)4)100(165)138-60-94(161)139-78(34-24-44-133-119(125)126)101(166)149-88(56-72-39-41-74(160)42-40-72)110(175)148-87(54-67(11)12)109(174)147-86(53-66(9)10)107(172)142-80(35-25-45-134-120(127)128)102(167)140-81(36-26-46-135-121(129)130)103(168)146-85(52-65(7)8)106(171)141-79(33-22-23-43-123)105(170)155-97(69(15)158)117(182)157-48-28-38-93(157)115(180)152-89(55-71-29-18-17-19-30-71)112(177)156-98(70(16)159)118(183)184/h17-21,29-32,39-42,59,62-70,76,78-93,96-98,137,158-160,185H,22-28,33-38,43-58,60-61,123-124H2,1-16H3,(H,138,165)(H,139,161)(H,140,167)(H,141,171)(H,142,172)(H,143,181)(H,144,164)(H,145,169)(H,146,168)(H,147,174)(H,148,175)(H,149,166)(H,150,179)(H,151,173)(H,152,180)(H,153,176)(H,154,178)(H,155,170)(H,156,177)(H,162,163)(H,183,184)(H4,125,126,133)(H4,127,128,134)(H4,129,130,135)(H4,131,132,136)/t69-,70-,76+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,96+,97+,98+/m1/s1

InChIKey

NIVBBWVONKVJCJ-YNIQAFCKSA-N

Compound name

(3S)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71597433